2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid

C20H16FNO3 — CID 58075174

IUPAC2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Cc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H16FNO3/c1-25-16-5-2-4-13(10-16)14-7-8-15(18(21)11-14)12-19-17(20(23)24)6-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyKLYZSJWPVKVDLL-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.19
Rot. Bonds5

About 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid

2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 58075174) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID58075174
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Cc3ncccc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C20H16FNO3/c1-25-16-5-2-4-13(10-16)14-7-8-15(18(21)11-14)12-19-17(20(23)24)6-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyKLYZSJWPVKVDLL-UHFFFAOYSA-N
XLogP4.19
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-chloro-4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 162176572
3-[[2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyridine-4-carboxylic acid
CID 147835566
2-[4-(3-ethoxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
CID 24986825
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid
CID 125425154
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24988290
2-[(2-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 102875972
2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-(3-methoxyphenyl)-3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]benzoic acid
CID 118078465
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560569
2-[(3-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 859340

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid (CID 58075174) is 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid is COc1cccc(-c2ccc(Cc3ncccc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is KLYZSJWPVKVDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-25-16-5-2-4-13(10-16)14-7-8-15(18(21)11-14)12-19-17(20(23)24)6-3-9-22-19/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid?
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58075174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).