2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid

C14H12FNO3 — CID 114198283

IUPAC2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(OCc2ncccc2C(=O)O)c1
InChIInChI=1S/C14H12FNO3/c1-9-4-5-11(15)13(7-9)19-8-12-10(14(17)18)3-2-6-16-12/h2-7H,8H2,1H3,(H,17,18)
InChIKeyMBWYTQQQYGUBBE-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.81
Rot. Bonds4

About 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid

2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid (PubChem CID 114198283) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
PubChem CID114198283
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid
SMILESCc1ccc(F)c(OCc2ncccc2C(=O)O)c1
InChIInChI=1S/C14H12FNO3/c1-9-4-5-11(15)13(7-9)19-8-12-10(14(17)18)3-2-6-16-12/h2-7H,8H2,1H3,(H,17,18)
InChIKeyMBWYTQQQYGUBBE-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

5-[(2-fluoro-5-methylphenoxy)methyl]thiophene-2-carboxylic acid
CID 64853998
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 146135062
trifluoro-[4-fluoro-3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 114675062
5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107881075
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081
3-[(2-fluoro-5-methylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64854334
ethane;8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 144953601
1-(2-fluoro-5-methylphenoxy)propan-2-one
CID 64855614
2-[(3-fluoro-5-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198744
2-[(5-bromo-2-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61379280

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid (CID 114198283) is 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid is Cc1ccc(F)c(OCc2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid?
The InChIKey is MBWYTQQQYGUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-9-4-5-11(15)13(7-9)19-8-12-10(14(17)18)3-2-6-16-12/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid?
2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-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 2-[(2-fluoro-5-methylphenoxy)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).