4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid

C13H10ClNO3 — CID 81227840

IUPAC4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1OCc1ccccc1Cl
InChIInChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)8-18-12-5-6-15-7-10(12)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyYICAJFCUZKKQGC-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.01
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid

4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 81227840) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
PubChem CID81227840
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1OCc1ccccc1Cl
InChIInChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)8-18-12-5-6-15-7-10(12)13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyYICAJFCUZKKQGC-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

2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
CID 113276788
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644
3-[(2-chlorophenyl)methoxy]pyridazine-4-carboxylic acid
CID 80517381
[2-[(2-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856709
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
2-amino-5-[(2-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 43380062
6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 67166963
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
3-[(4-carbamoyl-2-chlorophenyl)methoxy]pyridine-4-carboxylic acid
CID 102663375
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid (CID 81227840) is 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cnccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is YICAJFCUZKKQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-11-4-2-1-3-9(11)8-18-12-5-6-15-7-10(12)13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid?
4-[(2-chlorophenyl)methoxy]pyridine-3-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 4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81227840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).