2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid

C14H12ClNO3 — CID 53223255

IUPAC2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(Cl)c(C(=O)O)c2)cc1C
InChIInChI=1S/C14H12ClNO3/c1-8-5-9(3-4-12(8)19-2)10-6-11(14(17)18)13(15)16-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyPFVUVCYSQGHBTB-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.42
Rot. Bonds3

About 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid

2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 53223255) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
PubChem CID53223255
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cnc(Cl)c(C(=O)O)c2)cc1C
InChIInChI=1S/C14H12ClNO3/c1-8-5-9(3-4-12(8)19-2)10-6-11(14(17)18)13(15)16-7-10/h3-7H,1-2H3,(H,17,18)
InChIKeyPFVUVCYSQGHBTB-UHFFFAOYSA-N
XLogP3.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224514
2-chloro-5-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53222875
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
2-chloro-5-(4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53222587
5-(4-bromophenyl)-2-chloropyridine-3-carboxylic acid
CID 117222130
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 53224344
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-3-carboxylic acid
CID 53224663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid (CID 53223255) is 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid is COc1ccc(-c2cnc(Cl)c(C(=O)O)c2)cc1C.
What is the InChIKey of 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is PFVUVCYSQGHBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-5-9(3-4-12(8)19-2)10-6-11(14(17)18)13(15)16-7-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid?
2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxy-3-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).