4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid

C14H12ClNO3 — CID 63885169

IUPAC4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1cc(Cl)ccc1OCc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H12ClNO3/c1-9-6-11(15)2-3-13(9)19-8-10-4-5-16-12(7-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyWIKNTGAFIVUAGT-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.32
Rot. Bonds4

About 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid

4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63885169) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63885169
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1cc(Cl)ccc1OCc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H12ClNO3/c1-9-6-11(15)2-3-13(9)19-8-10-4-5-16-12(7-10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyWIKNTGAFIVUAGT-UHFFFAOYSA-N
XLogP3.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dichlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884780
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
4-[(2,6-dimethoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 63886132
2-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051602
3-[(4-chloro-2-methylphenoxy)methyl]-4-fluorobenzoic acid
CID 63531486
4-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63885173
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
1-[2-(4-chloro-2-methylphenoxy)ethyl]triazole-4-carboxylic acid
CID 29082352
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid (CID 63885169) is 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid is Cc1cc(Cl)ccc1OCc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is WIKNTGAFIVUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-6-11(15)2-3-13(9)19-8-10-4-5-16-12(7-10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid?
4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63885169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).