4-(2-fluoro-4-pyridinyl)benzoic acid

C12H8FNO2 — CID 155289889

IUPAC4-(2-fluoro-4-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc(F)c2)cc1
InChIInChI=1S/C12H8FNO2/c13-11-7-10(5-6-14-11)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,15,16)
InChIKeyUDAJENBZENVORA-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.59
Rot. Bonds2

About 4-(2-fluoro-4-pyridinyl)benzoic acid

4-(2-fluoro-4-pyridinyl)benzoic acid (PubChem CID 155289889) has the molecular formula C12H8FNO2 and a molecular weight of 217.20 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-pyridinyl)benzoic acid
PubChem CID155289889
Molecular FormulaC12H8FNO2
Molecular Weight217.20 g/mol
Exact Mass217.05
IUPAC Name4-(2-fluoro-4-pyridinyl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc(F)c2)cc1
InChIInChI=1S/C12H8FNO2/c13-11-7-10(5-6-14-11)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,15,16)
InChIKeyUDAJENBZENVORA-UHFFFAOYSA-N
XLogP2.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
benzoic acid;2-fluoro-4-methylpyridine
CID 174435105
4-quinolin-7-ylbenzoic acid
CID 81224662
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
3-(4-carboxyphenyl)benzoic acid
CID 11550488
4-[4-(3-fluoro-5-methyl-2-pyridinyl)phenyl]benzoic acid;hydrochloride
CID 171697581
oxophosphane;terephthalic acid
CID 175391404
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
terephthalic acid
CID 160582437
4-[(4-phenyl-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 166422826
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
5-bromothiophene-3-carboxylic acid;(2-fluoro-4-pyridinyl)boronic acid;5-(2-fluoro-4-pyridinyl)thiophene-3-carboxylic acid
CID 162186980

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyridinyl)benzoic acid?
The IUPAC name of 4-(2-fluoro-4-pyridinyl)benzoic acid (CID 155289889) is 4-(2-fluoro-4-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(2-fluoro-4-pyridinyl)benzoic acid?
The canonical SMILES for 4-(2-fluoro-4-pyridinyl)benzoic acid is O=C(O)c1ccc(-c2ccnc(F)c2)cc1.
What is the InChIKey of 4-(2-fluoro-4-pyridinyl)benzoic acid?
The InChIKey is UDAJENBZENVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO2/c13-11-7-10(5-6-14-11)8-1-3-9(4-2-8)12(15)16/h1-7H,(H,15,16).
What are the key properties of 4-(2-fluoro-4-pyridinyl)benzoic acid?
4-(2-fluoro-4-pyridinyl)benzoic acid has a molecular weight of 217.20 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyridinyl)benzoic acid is sourced from PubChem (CID 155289889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).