3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid

C14H10ClN3O2 — CID 62982531

IUPAC3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1cccc(C#N)c1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H10ClN3O2/c1-18(10-4-2-3-9(7-10)8-16)12-6-5-11(15)13(17-12)14(19)20/h2-7H,1H3,(H,19,20)
InChIKeyBPHFIXSGJVQDDF-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.07
Rot. Bonds3

About 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid

3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid (PubChem CID 62982531) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
PubChem CID62982531
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1cccc(C#N)c1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H10ClN3O2/c1-18(10-4-2-3-9(7-10)8-16)12-6-5-11(15)13(17-12)14(19)20/h2-7H,1H3,(H,19,20)
InChIKeyBPHFIXSGJVQDDF-UHFFFAOYSA-N
XLogP3.07
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102715859
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981428
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290
3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372194
methyl 2-(3-cyano-N-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424373
6-(N-butylanilino)-3-chloropyridine-2-carboxylic acid
CID 64584230
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid (CID 62982531) is 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid is CN(c1cccc(C#N)c1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is BPHFIXSGJVQDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-18(10-4-2-3-9(7-10)8-16)12-6-5-11(15)13(17-12)14(19)20/h2-7H,1H3,(H,19,20).
What are the key properties of 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid?
3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 287.71 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62982531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).