2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid

C13H9ClFNO3 — CID 63932215

IUPAC2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(OCc2ccccc2F)c1
InChIInChI=1S/C13H9ClFNO3/c14-11-5-9(13(17)18)6-12(16-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,17,18)
InChIKeyQHHJWZHRSLRDHP-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid

2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid (PubChem CID 63932215) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
PubChem CID63932215
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(OCc2ccccc2F)c1
InChIInChI=1S/C13H9ClFNO3/c14-11-5-9(13(17)18)6-12(16-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,17,18)
InChIKeyQHHJWZHRSLRDHP-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
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-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
3,5-dibromo-4-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707072
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
4-[(2-fluorophenyl)methoxy]-3,5-dimethylbenzoic acid
CID 28932941
2-chloro-6-[(3-methoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 43343574
5-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63852379
6-[(2-fluorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 66456909
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81439627
5-chloro-4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91687279
2-chloro-6-(2,5-difluorophenoxy)pyridine-4-carboxylic acid
CID 63269240

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid (CID 63932215) is 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(OCc2ccccc2F)c1.
What is the InChIKey of 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is QHHJWZHRSLRDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-11-5-9(13(17)18)6-12(16-11)19-7-8-3-1-2-4-10(8)15/h1-6H,7H2,(H,17,18).
What are the key properties of 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid?
2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 281.67 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-fluorophenyl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 63932215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).