5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid

C19H13ClFNO2 — CID 58415777

IUPAC5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Cc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C19H13ClFNO2/c20-14-7-6-13(16(10-14)19(23)24)9-12-5-8-18(22-11-12)15-3-1-2-4-17(15)21/h1-8,10-11H,9H2,(H,23,24)
InChIKeyQNUBBAXJVKMXGG-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.83
Rot. Bonds4

About 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid

5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid (PubChem CID 58415777) has the molecular formula C19H13ClFNO2 and a molecular weight of 341.77 g/mol. Its IUPAC name is 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid
PubChem CID58415777
Molecular FormulaC19H13ClFNO2
Molecular Weight341.77 g/mol
Exact Mass341.06
IUPAC Name5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Cc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C19H13ClFNO2/c20-14-7-6-13(16(10-14)19(23)24)9-12-5-8-18(22-11-12)15-3-1-2-4-17(15)21/h1-8,10-11H,9H2,(H,23,24)
InChIKeyQNUBBAXJVKMXGG-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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Related Compounds

US10143681, Example 23
CID 134261848
4-(2-Pyridyl)Benzoic Acid
CID 821692
4-(5-Ethylpyridin-2-yl)benzoic acid
CID 647467
4-(5-Propylpyridin-2-yl)benzoic acid
CID 766037
4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671
4-[8-(3-Chloro-phenyl)-[1,7]naphthyridin-6-yl]-benzoic acid
CID 10451184
4-(3,4-Dichlorophenyl)picolinic acid
CID 23445016
2-(3,4-Dichlorophenyl)isonicotinic acid
CID 23445120
5-(4-Chloro-phenyl)-2-pyridin-4-yl-1H-pyrrole-3-carboxylic acid
CID 44372451
4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]benzoic acid
CID 136166845
4-[4-[(1R,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166852
4-[4-[(1S,3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 136166950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
The IUPAC name of 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid (CID 58415777) is 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
The canonical SMILES for 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid is O=C(O)c1cc(Cl)ccc1Cc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
The InChIKey is QNUBBAXJVKMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO2/c20-14-7-6-13(16(10-14)19(23)24)9-12-5-8-18(22-11-12)15-3-1-2-4-17(15)21/h1-8,10-11H,9H2,(H,23,24).
What are the key properties of 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic 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 5-chloro-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid is sourced from PubChem (CID 58415777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).