4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid

C13H10FNO2 — CID 107957284

IUPAC4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(Cc2ccccn2)c1
InChIInChI=1S/C13H10FNO2/c14-12-5-4-9(13(16)17)7-10(12)8-11-3-1-2-6-15-11/h1-7H,8H2,(H,16,17)
InChIKeyWCLSBRNIINJRMB-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid

4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid (PubChem CID 107957284) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
PubChem CID107957284
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(Cc2ccccn2)c1
InChIInChI=1S/C13H10FNO2/c14-12-5-4-9(13(16)17)7-10(12)8-11-3-1-2-6-15-11/h1-7H,8H2,(H,16,17)
InChIKeyWCLSBRNIINJRMB-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-(pyridin-2-ylmethyl)benzoic acid
CID 177288276
3-fluoro-4-(pyridin-2-ylmethylsulfonyl)benzoic acid
CID 79186723
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
3-fluoro-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]benzoic acid
CID 63069441
3-chloro-5-(pyridin-2-ylmethyl)benzoic acid
CID 107957282
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
4-fluoro-3-(pyridin-3-yloxymethyl)benzoic acid
CID 63074970
benzoic acid;pyridin-2-ylmethanamine
CID 174853038
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
3-[(benzylamino)methyl]-4-fluorobenzoic acid
CID 68881519
4-fluoro-3-propylbenzoic acid
CID 11745258

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid (CID 107957284) is 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid is O=C(O)c1ccc(F)c(Cc2ccccn2)c1.
What is the InChIKey of 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid?
The InChIKey is WCLSBRNIINJRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-5-4-9(13(16)17)7-10(12)8-11-3-1-2-6-15-11/h1-7H,8H2,(H,16,17).
What are the key properties of 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid?
4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid has a molecular weight of 231.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(pyridin-2-ylmethyl)benzoic acid is sourced from PubChem (CID 107957284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).