6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide

C67H58Cl3F3N14O10S2 — CID 158179292

IUPAC6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide
SMILESCSc1ccccc1N.Cc1ccccc1Nc1cc(Cl)ncc1C(=O)O.Cc1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.Cc1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.Nc1ccc(F)cn1.O=C(O)c1cnc(Cl)cc1Cl.O=S=O
InChIInChI=1S/2C18H15FN4O2.C13H11ClN2O2.C7H9NS.C6H3Cl2NO2.C5H5FN2.O2S/c2*1-11-4-2-3-5-14(11)22-15-8-17(21-10-13(15)18(24)25)23-16-7-6-12(19)9-20-16;1-8-4-2-3-5-10(8)16-11-6-12(14)15-7-9(11)13(17)18;1-9-7-5-3-2-4-6(7)8;7-4-1-5(8)9-2-3(4)6(10)11;6-4-1-2-5(7)8-3-4;1-3-2/h2*2-10H,1H3,(H,24,25)(H2,20,21,22,23);2-7H,1H3,(H,15,16)(H,17,18);2-5H,8H2,1H3;1-2H,(H,10,11);1-3H,(H2,7,8);
InChIKeyFYJNWPOZYDPRMA-UHFFFAOYSA-N
MW1446.78 g/mol
LogP15.91
Rot. Bonds15

About 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide

6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide (PubChem CID 158179292) has the molecular formula C67H58Cl3F3N14O10S2 and a molecular weight of 1446.78 g/mol. Its IUPAC name is 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide.

Molecular Properties

Compound Name6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide
PubChem CID158179292
Molecular FormulaC67H58Cl3F3N14O10S2
Molecular Weight1446.78 g/mol
Exact Mass1444.29
IUPAC Name6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide
SMILESCSc1ccccc1N.Cc1ccccc1Nc1cc(Cl)ncc1C(=O)O.Cc1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.Cc1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.Nc1ccc(F)cn1.O=C(O)c1cnc(Cl)cc1Cl.O=S=O
InChIInChI=1S/2C18H15FN4O2.C13H11ClN2O2.C7H9NS.C6H3Cl2NO2.C5H5FN2.O2S/c2*1-11-4-2-3-5-14(11)22-15-8-17(21-10-13(15)18(24)25)23-16-7-6-12(19)9-20-16;1-8-4-2-3-5-10(8)16-11-6-12(14)15-7-9(11)13(17)18;1-9-7-5-3-2-4-6(7)8;7-4-1-5(8)9-2-3(4)6(10)11;6-4-1-2-5(7)8-3-4;1-3-2/h2*2-10H,1H3,(H,24,25)(H2,20,21,22,23);2-7H,1H3,(H,15,16)(H,17,18);2-5H,8H2,1H3;1-2H,(H,10,11);1-3H,(H2,7,8);
InChIKeyFYJNWPOZYDPRMA-UHFFFAOYSA-N
XLogP15.91
TPSA385.76 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001446.78
LogP ≤ 515.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide?
The IUPAC name of 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide (CID 158179292) is 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide.
What is the SMILES notation for 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide?
The canonical SMILES for 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide is CSc1ccccc1N.Cc1ccccc1Nc1cc(Cl)ncc1C(=O)O.Cc1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.Cc1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)O.Nc1ccc(F)cn1.O=C(O)c1cnc(Cl)cc1Cl.O=S=O.
What is the InChIKey of 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide?
The InChIKey is FYJNWPOZYDPRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15FN4O2.C13H11ClN2O2.C7H9NS.C6H3Cl2NO2.C5H5FN2.O2S/c2*1-11-4-2-3-5-14(11)22-15-8-17(21-10-13(15)18(24)25)23-16-7-6-12(19)9-20-16;1-8-4-2-3-5-10(8)16-11-6-12(14)15-7-9(11)13(17)18;1-9-7-5-3-2-4-6(7)8;7-4-1-5(8)9-2-3(4)6(10)11;6-4-1-2-5(7)8-3-4;1-3-2/h2*2-10H,1H3,(H,24,25)(H2,20,21,22,23);2-7H,1H3,(H,15,16)(H,17,18);2-5H,8H2,1H3;1-2H,(H,10,11);1-3H,(H2,7,8);.
What are the key properties of 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide?
6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide has a molecular weight of 1446.78 g/mol, XLogP of 15.91, 15 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide is sourced from PubChem (CID 158179292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).