2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid

C16H16FNO3 — CID 167824351

IUPAC2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid
SMILESCCCOc1ccc(-c2cncc(CC(=O)O)c2)c(F)c1
InChIInChI=1S/C16H16FNO3/c1-2-5-21-13-3-4-14(15(17)8-13)12-6-11(7-16(19)20)9-18-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,20)
InChIKeyLFLJNDLABXENNS-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.30
Rot. Bonds6

About 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid

2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid (PubChem CID 167824351) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid
PubChem CID167824351
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid
SMILESCCCOc1ccc(-c2cncc(CC(=O)O)c2)c(F)c1
InChIInChI=1S/C16H16FNO3/c1-2-5-21-13-3-4-14(15(17)8-13)12-6-11(7-16(19)20)9-18-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,20)
InChIKeyLFLJNDLABXENNS-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-fluorophenyl)-3-pyridinyl]acetic acid
CID 131870060
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
4-(4-decoxyphenyl)-3-fluorobenzoic acid
CID 15156905
2-[3-(5-fluoro-3-pyridinyl)phenyl]acetic acid
CID 155509609
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 163370850
4-methyl-5-(5-propoxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 167815932
1-(2-fluoro-5-propoxyphenyl)ethanone
CID 83988784
N-benzyl-2-(2-fluoro-4-propoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46067142
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
6-fluoro-2-[3-fluoro-4-(4-propoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 156547298

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid (CID 167824351) is 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid is CCCOc1ccc(-c2cncc(CC(=O)O)c2)c(F)c1.
What is the InChIKey of 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid?
The InChIKey is LFLJNDLABXENNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-5-21-13-3-4-14(15(17)8-13)12-6-11(7-16(19)20)9-18-10-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,19,20).
What are the key properties of 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid?
2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid has a molecular weight of 289.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoro-4-propoxyphenyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 167824351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).