4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid

C14H12FNO3 — CID 166140574

IUPAC4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)c(OCc2ccccc2)c1F
InChIInChI=1S/C14H12FNO3/c1-9-7-16-12(14(17)18)13(11(9)15)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyZKEYRTAGABFSPV-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.81
Rot. Bonds4

About 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid

4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 166140574) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
PubChem CID166140574
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)c(OCc2ccccc2)c1F
InChIInChI=1S/C14H12FNO3/c1-9-7-16-12(14(17)18)13(11(9)15)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,18)
InChIKeyZKEYRTAGABFSPV-UHFFFAOYSA-N
XLogP2.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid
CID 175513223
3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 170838715
4-bromo-3-phenylmethoxypyridine-2-carboxylic acid;methane
CID 145157389
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995
2,6-difluoro-3,4-bis(phenylmethoxy)-5-propan-2-yloxybenzoic acid
CID 166479784
4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
CID 164891597
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
3-[(4-fluorophenyl)methyl]-7-methyl-8-phenylmethoxyquinoline-5-carboxylic acid
CID 59696278
CID 6334341
CID 6334341

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
The IUPAC name of 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid (CID 166140574) is 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
The canonical SMILES for 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid is Cc1cnc(C(=O)O)c(OCc2ccccc2)c1F.
What is the InChIKey of 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
The InChIKey is ZKEYRTAGABFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9-7-16-12(14(17)18)13(11(9)15)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid?
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 166140574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).