5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid

C13H10Cl2N2O2 — CID 28967987

IUPAC5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ncc(C(=O)O)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-2-3-11(9(14)4-7)17-12-10(15)5-8(6-16-12)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyZXNWEPYXKMIRIB-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.14
Rot. Bonds3

About 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid

5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid (PubChem CID 28967987) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
PubChem CID28967987
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ncc(C(=O)O)cc2Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-2-3-11(9(14)4-7)17-12-10(15)5-8(6-16-12)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyZXNWEPYXKMIRIB-UHFFFAOYSA-N
XLogP4.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
5-chloro-6-[3-(dimethylamino)-4-methylanilino]pyridine-3-carboxylic acid
CID 115378070
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
6-[(5-bromo-3-pyridinyl)amino]-5-chloropyridine-3-carboxylic acid
CID 114222384
5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414782
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
2-(2-chloro-4-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid (CID 28967987) is 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid is Cc1ccc(Nc2ncc(C(=O)O)cc2Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is ZXNWEPYXKMIRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-2-3-11(9(14)4-7)17-12-10(15)5-8(6-16-12)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 297.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 28967987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).