3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid

C14H10ClN3O3 — CID 107468702

IUPAC3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1cccc(C#N)c1Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H10ClN3O3/c1-21-10-4-2-3-8(7-16)12(10)17-11-6-5-9(15)13(18-11)14(19)20/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyYOHMKTPYTGADLB-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.06
Rot. Bonds4

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

3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid (PubChem CID 107468702) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
PubChem CID107468702
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1cccc(C#N)c1Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H10ClN3O3/c1-21-10-4-2-3-8(7-16)12(10)17-11-6-5-9(15)13(18-11)14(19)20/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyYOHMKTPYTGADLB-UHFFFAOYSA-N
XLogP3.06
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468727
5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468716
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
2-(2-amino-3-chloroanilino)-3-methoxybenzonitrile
CID 107466457
1-(2-chlorophenyl)-3-(2-cyano-6-methoxyphenyl)urea
CID 107468189
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-3-methoxybenzonitrile
CID 107468954

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid (CID 107468702) is 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid is COc1cccc(C#N)c1Nc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is YOHMKTPYTGADLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c1-21-10-4-2-3-8(7-16)12(10)17-11-6-5-9(15)13(18-11)14(19)20/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid?
3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 303.71 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 107468702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).