4-chloro-2-(3,4-dimethoxyphenyl)pyridine

C13H12ClNO2 — CID 102825072

IUPAC4-chloro-2-(3,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Cl)ccn2)cc1OC
InChIInChI=1S/C13H12ClNO2/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(14)5-6-15-11/h3-8H,1-2H3
InChIKeyHSVAVSDCYZBOEM-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-2-(3,4-dimethoxyphenyl)pyridine

4-chloro-2-(3,4-dimethoxyphenyl)pyridine (PubChem CID 102825072) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dimethoxyphenyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dimethoxyphenyl)pyridine
PubChem CID102825072
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-chloro-2-(3,4-dimethoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Cl)ccn2)cc1OC
InChIInChI=1S/C13H12ClNO2/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(14)5-6-15-11/h3-8H,1-2H3
InChIKeyHSVAVSDCYZBOEM-UHFFFAOYSA-N
XLogP3.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 122499744
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4-chloro-2-(4-ethoxyphenyl)pyridine
CID 102825071
2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785125
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
[4-(4-chloro-2-pyridinyl)phenyl] carbamate
CID 175565637
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392
4-(3-chloro-4-methoxyphenyl)pyrimidin-2-amine
CID 82291455

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)pyridine?
The IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)pyridine (CID 102825072) is 4-chloro-2-(3,4-dimethoxyphenyl)pyridine.
What is the SMILES notation for 4-chloro-2-(3,4-dimethoxyphenyl)pyridine?
The canonical SMILES for 4-chloro-2-(3,4-dimethoxyphenyl)pyridine is COc1ccc(-c2cc(Cl)ccn2)cc1OC.
What is the InChIKey of 4-chloro-2-(3,4-dimethoxyphenyl)pyridine?
The InChIKey is HSVAVSDCYZBOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-16-12-4-3-9(7-13(12)17-2)11-8-10(14)5-6-15-11/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(3,4-dimethoxyphenyl)pyridine?
4-chloro-2-(3,4-dimethoxyphenyl)pyridine has a molecular weight of 249.70 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dimethoxyphenyl)pyridine is sourced from PubChem (CID 102825072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).