6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine

C77H93Cl8F8N25O12 — CID 159686510

IUPAC6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine
SMILESCCOC(=O)c1ccn(-c2cc(NC)c(N)c(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2cc(NC)c([N+](=O)[O-])c(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn[nH]1.CNc1cc(Cl)nc(Cl)c1.CNc1cc(Cl)nc(Cl)c1[N+](=O)[O-].CNc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1[N+](=O)[O-].Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1
InChIInChI=1S/C18H22F2N6O4.C18H24F2N6O2.C12H15ClF2N4O2.C6H5Cl2N3O2.C6H6Cl2N2.C6H11F2N.C6H8N2O2.C5H2Cl3N/c1-3-30-17(27)12-6-9-25(24-12)14-10-13(21-2)15(26(28)29)16(23-14)22-11-4-7-18(19,20)8-5-11;1-3-28-17(27)12-6-9-26(25-12)14-10-13(22-2)15(21)16(24-14)23-11-4-7-18(19,20)8-5-11;1-16-8-6-9(13)18-11(10(8)19(20)21)17-7-2-4-12(14,15)5-3-7;1-9-3-2-4(7)10-6(8)5(3)11(12)13;1-9-4-2-5(7)10-6(8)3-4;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;6-3-1-4(7)9-5(8)2-3/h6,9-11H,3-5,7-8H2,1-2H3,(H2,21,22,23);6,9-11H,3-5,7-8,21H2,1-2H3,(H2,22,23,24);6-7H,2-5H2,1H3,(H2,16,17,18);2H,1H3,(H,9,10);2-3H,1H3,(H,9,10);5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);1-2H
InChIKeyMVWFZLHKCKZLEA-UHFFFAOYSA-N
MW1996.36 g/mol
LogP20.04
Rot. Bonds22

About 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine

6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine (PubChem CID 159686510) has the molecular formula C77H93Cl8F8N25O12 and a molecular weight of 1996.36 g/mol. Its IUPAC name is 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine.

Molecular Properties

Compound Name6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine
PubChem CID159686510
Molecular FormulaC77H93Cl8F8N25O12
Molecular Weight1996.36 g/mol
Exact Mass1991.48
IUPAC Name6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine
SMILESCCOC(=O)c1ccn(-c2cc(NC)c(N)c(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2cc(NC)c([N+](=O)[O-])c(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn[nH]1.CNc1cc(Cl)nc(Cl)c1.CNc1cc(Cl)nc(Cl)c1[N+](=O)[O-].CNc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1[N+](=O)[O-].Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1
InChIInChI=1S/C18H22F2N6O4.C18H24F2N6O2.C12H15ClF2N4O2.C6H5Cl2N3O2.C6H6Cl2N2.C6H11F2N.C6H8N2O2.C5H2Cl3N/c1-3-30-17(27)12-6-9-25(24-12)14-10-13(21-2)15(26(28)29)16(23-14)22-11-4-7-18(19,20)8-5-11;1-3-28-17(27)12-6-9-26(25-12)14-10-13(22-2)15(21)16(24-14)23-11-4-7-18(19,20)8-5-11;1-16-8-6-9(13)18-11(10(8)19(20)21)17-7-2-4-12(14,15)5-3-7;1-9-3-2-4(7)10-6(8)5(3)11(12)13;1-9-4-2-5(7)10-6(8)3-4;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;6-3-1-4(7)9-5(8)2-3/h6,9-11H,3-5,7-8H2,1-2H3,(H2,21,22,23);6,9-11H,3-5,7-8,21H2,1-2H3,(H2,22,23,24);6-7H,2-5H2,1H3,(H2,16,17,18);2H,1H3,(H,9,10);2-3H,1H3,(H,9,10);5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);1-2H
InChIKeyMVWFZLHKCKZLEA-UHFFFAOYSA-N
XLogP20.04
TPSA498.26 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001996.36
LogP ≤ 520.04
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine with MolForge

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Launch Full Analysis

Related Compounds

4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine
CID 158302083
2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine;hydrochloride
CID 160641913
2-chloro-N-(4-fluorophenyl)-6-methylpyrimidin-4-amine;2,4-dichloro-6-methylpyrimidine;ethyl 1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;4-fluoroaniline;2-[1-[4-(4-fluoroanilino)-6-methylpyrimidin-2-yl]pyrazol-3-yl]propan-2-ol
CID 157630245
Ethyl 1-[4-chloro-6-(4-fluoroanilino)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazole-3-carboxylate;4-fluoroaniline;[1-[4-(4-fluoroanilino)-6-morpholin-4-ylpyrimidin-2-yl]pyrazol-3-yl]methanol;methane;morpholine
CID 160000588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?
The IUPAC name of 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine (CID 159686510) is 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine.
What is the SMILES notation for 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?
The canonical SMILES for 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine is CCOC(=O)c1ccn(-c2cc(NC)c(N)c(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2cc(NC)c([N+](=O)[O-])c(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn[nH]1.CNc1cc(Cl)nc(Cl)c1.CNc1cc(Cl)nc(Cl)c1[N+](=O)[O-].CNc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1[N+](=O)[O-].Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.
What is the InChIKey of 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?
The InChIKey is MVWFZLHKCKZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6O4.C18H24F2N6O2.C12H15ClF2N4O2.C6H5Cl2N3O2.C6H6Cl2N2.C6H11F2N.C6H8N2O2.C5H2Cl3N/c1-3-30-17(27)12-6-9-25(24-12)14-10-13(21-2)15(26(28)29)16(23-14)22-11-4-7-18(19,20)8-5-11;1-3-28-17(27)12-6-9-26(25-12)14-10-13(22-2)15(21)16(24-14)23-11-4-7-18(19,20)8-5-11;1-16-8-6-9(13)18-11(10(8)19(20)21)17-7-2-4-12(14,15)5-3-7;1-9-3-2-4(7)10-6(8)5(3)11(12)13;1-9-4-2-5(7)10-6(8)3-4;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;6-3-1-4(7)9-5(8)2-3/h6,9-11H,3-5,7-8H2,1-2H3,(H2,21,22,23);6,9-11H,3-5,7-8,21H2,1-2H3,(H2,22,23,24);6-7H,2-5H2,1H3,(H2,16,17,18);2H,1H3,(H,9,10);2-3H,1H3,(H,9,10);5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);1-2H.
What are the key properties of 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?
6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine has a molecular weight of 1996.36 g/mol, XLogP of 20.04, 22 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(4,4-difluorocyclohexyl)-4-N-methyl-3-nitropyridine-2,4-diamine;2,6-dichloro-N-methyl-3-nitropyridin-4-amine;2,6-dichloro-N-methylpyridin-4-amine;4,4-difluorocyclohexan-1-amine;ethyl 1-[5-amino-6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-[(4,4-difluorocyclohexyl)amino]-4-(methylamino)-5-nitro-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine is sourced from PubChem (CID 159686510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).