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

C12H7Cl3N2O2 — CID 43343634

IUPAC2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H7Cl3N2O2/c13-7-3-8(14)5-9(4-7)16-11-2-6(12(18)19)1-10(15)17-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyDSOBIQUKUYGTPP-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.48
Rot. Bonds3

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

2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid (PubChem CID 43343634) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
PubChem CID43343634
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H7Cl3N2O2/c13-7-3-8(14)5-9(4-7)16-11-2-6(12(18)19)1-10(15)17-11/h1-5H,(H,16,17)(H,18,19)
InChIKeyDSOBIQUKUYGTPP-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

2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
CID 107645086
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
2,6-dichloro-N-(3,5-dichlorophenyl)pyrimidin-4-amine
CID 10380610
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-chloro-6-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyridine-4-carboxylic acid
CID 61480613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid (CID 43343634) is 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid?
The InChIKey is DSOBIQUKUYGTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-7-3-8(14)5-9(4-7)16-11-2-6(12(18)19)1-10(15)17-11/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid?
2-chloro-6-(3,5-dichloroanilino)pyridine-4-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 2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).