6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile

C78H98Cl8N12O15P+ — CID 157241594

IUPAC6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile
SMILESC.C.C.C.CCNc1cc(Cl)ncc1C(=O)OCC.CCNc1cc(Cl)ncc1C=O.CCNc1cc(Cl)ncc1CO.CCOC(=O)CC(=O)CC(C)=O.CCOC(=O)c1c[nH]c(=O)cc1O.CCOC(=O)c1cnc(Cl)cc1Cl.N#CCc1ccccc1.O=[P+](Cl)Cl.[H]/N=c1/c(-c2ccccc2)cc2cnc(Cl)cc2n1CC
InChIInChI=1S/C16H14ClN3.C10H13ClN2O2.C8H7Cl2NO2.C8H11ClN2O.C8H9ClN2O.C8H9NO4.C8H7N.C8H12O4.4CH4.Cl2OP/c1-2-20-14-9-15(17)19-10-12(14)8-13(16(20)18)11-6-4-3-5-7-11;1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;2*1-2-10-7-3-8(9)11-4-6(7)5-12;1-2-13-8(12)5-4-9-7(11)3-6(5)10;9-7-6-8-4-2-1-3-5-8;1-3-12-8(11)5-7(10)4-6(2)9;;;;;1-4(2)3/h3-10,18H,2H2,1H3;5-6H,3-4H2,1-2H3,(H,12,13);3-4H,2H2,1H3;3-4,12H,2,5H2,1H3,(H,10,11);3-5H,2H2,1H3,(H,10,11);3-4H,2H2,1H3,(H2,9,10,11);1-5H,6H2;3-5H2,1-2H3;4*1H4;/q;;;;;;;;;;;;+1/b18-16-;;;;;;;;;;;;
InChIKeyHQIHFONGLKJTFC-AUWLZRQTSA-N
MW1758.31 g/mol
LogP19.57
Rot. Bonds22

About 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile

6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile (PubChem CID 157241594) has the molecular formula C78H98Cl8N12O15P+ and a molecular weight of 1758.31 g/mol. Its IUPAC name is 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile.

Molecular Properties

Compound Name6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile
PubChem CID157241594
Molecular FormulaC78H98Cl8N12O15P+
Molecular Weight1758.31 g/mol
Exact Mass1753.45
IUPAC Name6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile
SMILESC.C.C.C.CCNc1cc(Cl)ncc1C(=O)OCC.CCNc1cc(Cl)ncc1C=O.CCNc1cc(Cl)ncc1CO.CCOC(=O)CC(=O)CC(C)=O.CCOC(=O)c1c[nH]c(=O)cc1O.CCOC(=O)c1cnc(Cl)cc1Cl.N#CCc1ccccc1.O=[P+](Cl)Cl.[H]/N=c1/c(-c2ccccc2)cc2cnc(Cl)cc2n1CC
InChIInChI=1S/C16H14ClN3.C10H13ClN2O2.C8H7Cl2NO2.C8H11ClN2O.C8H9ClN2O.C8H9NO4.C8H7N.C8H12O4.4CH4.Cl2OP/c1-2-20-14-9-15(17)19-10-12(14)8-13(16(20)18)11-6-4-3-5-7-11;1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;2*1-2-10-7-3-8(9)11-4-6(7)5-12;1-2-13-8(12)5-4-9-7(11)3-6(5)10;9-7-6-8-4-2-1-3-5-8;1-3-12-8(11)5-7(10)4-6(2)9;;;;;1-4(2)3/h3-10,18H,2H2,1H3;5-6H,3-4H2,1-2H3,(H,12,13);3-4H,2H2,1H3;3-4,12H,2,5H2,1H3,(H,10,11);3-5H,2H2,1H3,(H,10,11);3-4H,2H2,1H3,(H2,9,10,11);1-5H,6H2;3-5H2,1-2H3;4*1H4;/q;;;;;;;;;;;;+1/b18-16-;;;;;;;;;;;;
InChIKeyHQIHFONGLKJTFC-AUWLZRQTSA-N
XLogP19.57
TPSA399.91 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.31
LogP ≤ 519.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile with MolForge

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Related Compounds

dicesium;2-[[2-chloro-5-(hydroxymethyl)-4-pyridinyl]amino]propan-1-ol;6-chloro-4-(1-hydroxypropan-2-ylamino)pyridine-3-carbaldehyde;ethyl 6-chloro-4-(oxetan-3-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;oxetan-3-amine;oxido formate
CID 159396054
[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 20627001
[6-chloro-4-(2,2-dimethylpropylamino)-3-pyridinyl]methanol
CID 150025365
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
2-chloro-6-methyl-5,11-dihydropyrido[3,4-c][1,5]benzodiazepine;4,6-dichloropyridine-3-carbaldehyde;(4,6-dichloro-3-pyridinyl)methanol;1-(4,6-dichloro-3-pyridinyl)-N-methylmethanamine;2-N-[(4,6-dichloro-3-pyridinyl)methyl]-2-N-methylbenzene-1,2-diamine;N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methyl-2-nitroaniline;ethyl 4,6-dichloropyridine-3-carboxylate;1-fluoro-2-nitrobenzene
CID 161425251
ethyl 2-[3-[7-chloro-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354359
ethyl 2-[4-[7-chloro-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354375
ethyl 4-chloro-8-phenylquinoline-3-carboxylate
CID 18549723
ethyl 2-(2-chlorophenyl)-3-oxo-4-phenyl-1H-pyrazole-5-carboxylate
CID 134087044
ethyl 2-(7-chloro-2-oxo-3-phenylquinolin-1-yl)acetate
CID 13180324
lithium;alumane;(4,6-dichloro-3-pyridinyl)methanol;[(4,6-dichloro-3-pyridinyl)methyl-methyl-λ4-sulfanylidene]cyanamide;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;oxolane
CID 160823653

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile?
The IUPAC name of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile (CID 157241594) is 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile.
What is the SMILES notation for 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile?
The canonical SMILES for 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile is C.C.C.C.CCNc1cc(Cl)ncc1C(=O)OCC.CCNc1cc(Cl)ncc1C=O.CCNc1cc(Cl)ncc1CO.CCOC(=O)CC(=O)CC(C)=O.CCOC(=O)c1c[nH]c(=O)cc1O.CCOC(=O)c1cnc(Cl)cc1Cl.N#CCc1ccccc1.O=[P+](Cl)Cl.[H]/N=c1/c(-c2ccccc2)cc2cnc(Cl)cc2n1CC.
What is the InChIKey of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile?
The InChIKey is HQIHFONGLKJTFC-AUWLZRQTSA-N. The full InChI is InChI=1S/C16H14ClN3.C10H13ClN2O2.C8H7Cl2NO2.C8H11ClN2O.C8H9ClN2O.C8H9NO4.C8H7N.C8H12O4.4CH4.Cl2OP/c1-2-20-14-9-15(17)19-10-12(14)8-13(16(20)18)11-6-4-3-5-7-11;1-3-12-8-5-9(11)13-6-7(8)10(14)15-4-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;2*1-2-10-7-3-8(9)11-4-6(7)5-12;1-2-13-8(12)5-4-9-7(11)3-6(5)10;9-7-6-8-4-2-1-3-5-8;1-3-12-8(11)5-7(10)4-6(2)9;;;;;1-4(2)3/h3-10,18H,2H2,1H3;5-6H,3-4H2,1-2H3,(H,12,13);3-4H,2H2,1H3;3-4,12H,2,5H2,1H3,(H,10,11);3-5H,2H2,1H3,(H,10,11);3-4H,2H2,1H3,(H2,9,10,11);1-5H,6H2;3-5H2,1-2H3;4*1H4;/q;;;;;;;;;;;;+1/b18-16-;;;;;;;;;;;;.
What are the key properties of 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile?
6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile has a molecular weight of 1758.31 g/mol, XLogP of 19.57, 22 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-3-phenyl-1,6-naphthyridin-2-imine;dichloro(oxo)phosphanium;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 3,5-dioxohexanoate;ethyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate;methane;2-phenylacetonitrile is sourced from PubChem (CID 157241594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).