2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid

C26H22Cl2N4O4 — CID 67783774

IUPAC2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1ncccc1C(=O)O.Cc1c(Cl)cccc1Nc1ncccc1C(=O)O
InChIInChI=1S/2C13H11ClN2O2/c2*1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2*2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyYRRNKTFHBHMPGZ-UHFFFAOYSA-N
MW525.39 g/mol
LogP6.97
Rot. Bonds6

About 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 67783774) has the molecular formula C26H22Cl2N4O4 and a molecular weight of 525.39 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID67783774
Molecular FormulaC26H22Cl2N4O4
Molecular Weight525.39 g/mol
Exact Mass524.10
IUPAC Name2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1Nc1ncccc1C(=O)O.Cc1c(Cl)cccc1Nc1ncccc1C(=O)O
InChIInChI=1S/2C13H11ClN2O2/c2*1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2*2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyYRRNKTFHBHMPGZ-UHFFFAOYSA-N
XLogP6.97
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.39
LogP ≤ 56.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid;2,6-diaminohexanoic acid
CID 10047082
2-[3-chloro-5-deuterio-2-(trideuteriomethyl)anilino]pyridine-3-carboxylic acid
CID 172990311
[(E)-4-[2-(3-chloro-2-methylanilino)pyridine-3-carbonyl]oxybut-2-enyl] 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate
CID 164931481
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976
acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 175172290
3-[(3-chloro-2-pyridinyl)amino]-2-(methoxymethoxy)benzoic acid
CID 67072116
2-(2-chloroanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 23633001
2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid
CID 158494808
3-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methoxy]propane-1,2-diol
CID 167499748
2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (CID 67783774) is 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid is Cc1c(Cl)cccc1Nc1ncccc1C(=O)O.Cc1c(Cl)cccc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is YRRNKTFHBHMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11ClN2O2/c2*1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2*2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid?
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 525.39 g/mol, XLogP of 6.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 67783774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).