6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid

C13H10ClNO3 — CID 106903207

IUPAC6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H10ClNO3/c14-9-4-6-11(7-5-9)18-8-10-2-1-3-12(15-10)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeySQMYGSVBKXQZBO-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.01
Rot. Bonds4

About 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid

6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903207) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903207
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H10ClNO3/c14-9-4-6-11(7-5-9)18-8-10-2-1-3-12(15-10)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeySQMYGSVBKXQZBO-UHFFFAOYSA-N
XLogP3.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
CID 106903375
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[[4-(1,3-benzodioxol-5-yl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 11501161
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[(2-chloro-4-cyanophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903314
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
CID 106903275
2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187383

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid (CID 106903207) is 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is SQMYGSVBKXQZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-9-4-6-11(7-5-9)18-8-10-2-1-3-12(15-10)13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid?
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).