4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid

C13H9ClFNO2 — CID 19974760

IUPAC4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H9ClFNO2/c14-10-1-2-12(15)9(6-10)5-8-3-4-16-7-11(8)13(17)18/h1-4,6-7H,5H2,(H,17,18)
InChIKeyRDFIXFCSJQEZMC-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.16
Rot. Bonds3

About 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid

4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid (PubChem CID 19974760) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid
PubChem CID19974760
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Cc1cc(Cl)ccc1F
InChIInChI=1S/C13H9ClFNO2/c14-10-1-2-12(15)9(6-10)5-8-3-4-16-7-11(8)13(17)18/h1-4,6-7H,5H2,(H,17,18)
InChIKeyRDFIXFCSJQEZMC-UHFFFAOYSA-N
XLogP3.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid (CID 19974760) is 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1Cc1cc(Cl)ccc1F.
What is the InChIKey of 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid?
The InChIKey is RDFIXFCSJQEZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-10-1-2-12(15)9(6-10)5-8-3-4-16-7-11(8)13(17)18/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid?
4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid has a molecular weight of 265.67 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-fluorophenyl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 19974760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).