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

C14H12ClNO3 — CID 63074336

IUPAC3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)c(OCc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H12ClNO3/c1-9-4-5-11(15)12(7-9)19-8-10-3-2-6-16-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIFIZJSVOCRNKQH-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.32
Rot. Bonds4

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

3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63074336) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63074336
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc(Cl)c(OCc2cccnc2C(=O)O)c1
InChIInChI=1S/C14H12ClNO3/c1-9-4-5-11(15)12(7-9)19-8-10-3-2-6-16-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyIFIZJSVOCRNKQH-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

3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
CID 43509419
3-[(3,5-dimethylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380273
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
3-[(3-tert-butylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074328
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
CID 63073065
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid (CID 63074336) is 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid is Cc1ccc(Cl)c(OCc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is IFIZJSVOCRNKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-9-4-5-11(15)12(7-9)19-8-10-3-2-6-16-13(10)14(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid?
3-[(2-chloro-5-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 3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63074336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).