6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid

C14H12ClNO3 — CID 106903375

IUPAC6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClNO3/c15-11-6-4-10(5-7-11)8-19-9-12-2-1-3-13(16-12)14(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyZGDSXYKSHNENKZ-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.15
Rot. Bonds5

About 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid

6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid (PubChem CID 106903375) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
PubChem CID106903375
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COCc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClNO3/c15-11-6-4-10(5-7-11)8-19-9-12-2-1-3-13(16-12)14(17)18/h1-7H,8-9H2,(H,17,18)
InChIKeyZGDSXYKSHNENKZ-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid (CID 106903375) is 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COCc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid?
The InChIKey is ZGDSXYKSHNENKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-11-6-4-10(5-7-11)8-19-9-12-2-1-3-13(16-12)14(17)18/h1-7H,8-9H2,(H,17,18).
What are the key properties of 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid?
6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).