2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid

C13H10FNO2 — CID 131870069

IUPAC2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1c(F)cncc1-c1ccccc1
InChIInChI=1S/C13H10FNO2/c14-12-8-15-7-11(10(12)6-13(16)17)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyYXHGDEYAZGWKJS-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid

2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid (PubChem CID 131870069) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
PubChem CID131870069
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid
SMILESO=C(O)Cc1c(F)cncc1-c1ccccc1
InChIInChI=1S/C13H10FNO2/c14-12-8-15-7-11(10(12)6-13(16)17)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17)
InChIKeyYXHGDEYAZGWKJS-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

2-(2,6-diphenylphenyl)acetic acid
CID 69422987
2-[3-(4-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131869550
2-[3-(2-fluorophenyl)-5-methoxy-4-pyridinyl]acetic acid
CID 131870066
2-(4-fluoro-5-phenyl-2-pyridinyl)acetic acid
CID 133095784
3-fluoro-4-iodo-5-phenylpyridine
CID 131015376
2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131870032
(5-fluoro-4-phenyl-3-pyridinyl)methanol
CID 131556455
3-fluoro-5-phenyl-4-(trifluoromethyl)pyridine
CID 133095547
4-fluoro-5-phenylpyridine-3-carboxamide
CID 91379207
2-(3,4-difluoro-5-phenylphenyl)acetic acid
CID 117372910
2-[3-methoxy-5-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134627169
2-(2-amino-6-phenylphenyl)acetic acid
CID 13048602

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid?
The IUPAC name of 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid (CID 131870069) is 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid is O=C(O)Cc1c(F)cncc1-c1ccccc1.
What is the InChIKey of 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid?
The InChIKey is YXHGDEYAZGWKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-8-15-7-11(10(12)6-13(16)17)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,16,17).
What are the key properties of 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid?
2-(3-fluoro-5-phenyl-4-pyridinyl)acetic 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 2-(3-fluoro-5-phenyl-4-pyridinyl)acetic acid is sourced from PubChem (CID 131870069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).