2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid

C13H10ClFN2O3 — CID 114840067

IUPAC2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1cc(Nc2cc(C(=O)O)cc(Cl)n2)ccc1F
InChIInChI=1S/C13H10ClFN2O3/c1-20-10-6-8(2-3-9(10)15)16-12-5-7(13(18)19)4-11(14)17-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyUTGJVYQADHYOFI-UHFFFAOYSA-N
MW296.69 g/mol
LogP3.32
Rot. Bonds4

About 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid

2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid (PubChem CID 114840067) has the molecular formula C13H10ClFN2O3 and a molecular weight of 296.69 g/mol. Its IUPAC name is 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
PubChem CID114840067
Molecular FormulaC13H10ClFN2O3
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC Name2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1cc(Nc2cc(C(=O)O)cc(Cl)n2)ccc1F
InChIInChI=1S/C13H10ClFN2O3/c1-20-10-6-8(2-3-9(10)15)16-12-5-7(13(18)19)4-11(14)17-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyUTGJVYQADHYOFI-UHFFFAOYSA-N
XLogP3.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
6-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114840486
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
CID 43166932
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
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
4-(4-bromo-3-methoxyanilino)-3,5-difluorobenzoic acid
CID 82859212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid (CID 114840067) is 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid is COc1cc(Nc2cc(C(=O)O)cc(Cl)n2)ccc1F.
What is the InChIKey of 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid?
The InChIKey is UTGJVYQADHYOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3/c1-20-10-6-8(2-3-9(10)15)16-12-5-7(13(18)19)4-11(14)17-12/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid?
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid has a molecular weight of 296.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114840067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).