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

C12H7ClF2N2O2 — CID 63376482

IUPAC6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-4-2-7(12(18)19)11(17-10)16-6-1-3-8(14)9(15)5-6/h1-5H,(H,16,17)(H,18,19)
InChIKeyQPOMTEILKRSPPO-UHFFFAOYSA-N
MW284.65 g/mol
LogP3.45
Rot. Bonds3

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

6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid (PubChem CID 63376482) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
PubChem CID63376482
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-4-2-7(12(18)19)11(17-10)16-6-1-3-8(14)9(15)5-6/h1-5H,(H,16,17)(H,18,19)
InChIKeyQPOMTEILKRSPPO-UHFFFAOYSA-N
XLogP3.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid (CID 63376482) is 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is QPOMTEILKRSPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-10-4-2-7(12(18)19)11(17-10)16-6-1-3-8(14)9(15)5-6/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid?
6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 284.65 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).