5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid

C12H7Cl3N2O2 — CID 118412418

IUPAC5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(Cl)c1Nc1cccc(Cl)c1
InChIInChI=1S/C12H7Cl3N2O2/c13-6-2-1-3-7(4-6)17-10-8(12(18)19)5-16-11(15)9(10)14/h1-5H,(H,16,17)(H,18,19)
InChIKeyBBWMFCPQEHOQPA-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.48
Rot. Bonds3

About 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid

5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid (PubChem CID 118412418) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid
PubChem CID118412418
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)c(Cl)c1Nc1cccc(Cl)c1
InChIInChI=1S/C12H7Cl3N2O2/c13-6-2-1-3-7(4-6)17-10-8(12(18)19)5-16-11(15)9(10)14/h1-5H,(H,16,17)(H,18,19)
InChIKeyBBWMFCPQEHOQPA-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
(1R)-3-(3-chloroanilino)-4-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-6-carboxylic acid
CID 163563416
5,6-dichloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 118412477
4-(3-chloroanilino)-3,5-difluorobenzoic acid
CID 63184063
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245
3-amino-6-(3-chloroanilino)pyridazine-4-carboxylic acid
CID 117103127
3-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54678751
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
4-(3-iodoanilino)quinoline-3-carboxylic acid
CID 63538814
4-(3-bromoanilino)quinoline-3-carboxylic acid
CID 22466647
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid (CID 118412418) is 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)c(Cl)c1Nc1cccc(Cl)c1.
What is the InChIKey of 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid?
The InChIKey is BBWMFCPQEHOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-6-2-1-3-7(4-6)17-10-8(12(18)19)5-16-11(15)9(10)14/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid?
5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid has a molecular weight of 317.56 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-4-(3-chloroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 118412418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).