4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid

C19H13ClFNO2 — CID 70306553

IUPAC4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)cc1Cc1ccccc1Cl
InChIInChI=1S/C19H13ClFNO2/c20-17-4-2-1-3-13(17)9-14-10-18(22-11-16(14)19(23)24)12-5-7-15(21)8-6-12/h1-8,10-11H,9H2,(H,23,24)
InChIKeyJPGTVOUTRUUQMN-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.83
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid

4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid (PubChem CID 70306553) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid
PubChem CID70306553
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Name4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccc(F)cc2)cc1Cc1ccccc1Cl
InChIInChI=1S/C19H13ClFNO2/c20-17-4-2-1-3-13(17)9-14-10-18(22-11-16(14)19(23)24)12-5-7-15(21)8-6-12/h1-8,10-11H,9H2,(H,23,24)
InChIKeyJPGTVOUTRUUQMN-UHFFFAOYSA-N
XLogP4.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid (CID 70306553) is 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccc(F)cc2)cc1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is JPGTVOUTRUUQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c20-17-4-2-1-3-13(17)9-14-10-18(22-11-16(14)19(23)24)12-5-7-15(21)8-6-12/h1-8,10-11H,9H2,(H,23,24).
What are the key properties of 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid?
4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 341.77 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70306553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).