2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid

C16H16FNO2 — CID 115982237

IUPAC2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H16FNO2/c1-11-4-3-7-18-15(11)10-13(16(19)20)8-12-5-2-6-14(17)9-12/h2-7,9,13H,8,10H2,1H3,(H,19,20)
InChIKeyYTPRQFJWQDWPPQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.02
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid

2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 115982237) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID115982237
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C16H16FNO2/c1-11-4-3-7-18-15(11)10-13(16(19)20)8-12-5-2-6-14(17)9-12/h2-7,9,13H,8,10H2,1H3,(H,19,20)
InChIKeyYTPRQFJWQDWPPQ-UHFFFAOYSA-N
XLogP3.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982240
2-[(4-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982233
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
(2R)-2-[(3-fluorophenyl)methyl]butanedioic acid
CID 96723137
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
2-[(3-fluorophenyl)methyl]-5-phenylpent-4-enoic acid
CID 79422053
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
2-[(3-fluorophenyl)methyl]hex-5-ynoic acid
CID 79418723
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
2-[(2,4-dichlorophenyl)methyl]-3-(3-fluorophenyl)propanoic acid
CID 60793636

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid (CID 115982237) is 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1cccnc1CC(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is YTPRQFJWQDWPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-4-3-7-18-15(11)10-13(16(19)20)8-12-5-2-6-14(17)9-12/h2-7,9,13H,8,10H2,1H3,(H,19,20).
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid?
2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 115982237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).