2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid

C13H10FNO2 — CID 46315783

IUPAC2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)c(-c2ccncc2)c1
InChIInChI=1S/C13H10FNO2/c14-12-2-1-9(8-13(16)17)7-11(12)10-3-5-15-6-4-10/h1-7H,8H2,(H,16,17)
InChIKeyISWMFWDUXKJFDD-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid

2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid (PubChem CID 46315783) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid
PubChem CID46315783
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(F)c(-c2ccncc2)c1
InChIInChI=1S/C13H10FNO2/c14-12-2-1-9(8-13(16)17)7-11(12)10-3-5-15-6-4-10/h1-7H,8H2,(H,16,17)
InChIKeyISWMFWDUXKJFDD-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-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-(2-fluoro-4-pyridin-4-ylphenyl)acetic acid
CID 46315787
2-[3-(2,3-difluorophenyl)-4-fluorophenyl]acetic acid
CID 134630574
2-[3-(bromomethyl)-4-fluorophenyl]acetic acid
CID 99769915
2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369391
4-(2,5-difluoro-4-pyridin-4-ylphenyl)pyridine
CID 102193894
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
2-(3,4-difluoro-5-phenylphenyl)acetic acid
CID 117372910
2-(2-pyridin-4-yl-1,3-benzothiazol-6-yl)acetic acid
CID 39105403
2-(4-fluoro-3-phenylphenyl)-1-(3H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
CID 158775476
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
2-(4-fluoro-3-isocyanophenyl)acetic acid
CID 58834662

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid?
The IUPAC name of 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid (CID 46315783) is 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid?
The canonical SMILES for 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid is O=C(O)Cc1ccc(F)c(-c2ccncc2)c1.
What is the InChIKey of 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid?
The InChIKey is ISWMFWDUXKJFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-2-1-9(8-13(16)17)7-11(12)10-3-5-15-6-4-10/h1-7H,8H2,(H,16,17).
What are the key properties of 2-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid?
2-(4-fluoro-3-pyridin-4-ylphenyl)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-(4-fluoro-3-pyridin-4-ylphenyl)acetic acid is sourced from PubChem (CID 46315783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).