5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine

C13H13ClN2O2 — CID 166595375

IUPAC5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2ncc(N)cc2Cl)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-11-4-3-8(5-12(11)18-2)13-10(14)6-9(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyVCGLHFZHYMTTPQ-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.00
Rot. Bonds3

About 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine

5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine (PubChem CID 166595375) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
PubChem CID166595375
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2ncc(N)cc2Cl)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-11-4-3-8(5-12(11)18-2)13-10(14)6-9(15)7-16-13/h3-7H,15H2,1-2H3
InChIKeyVCGLHFZHYMTTPQ-UHFFFAOYSA-N
XLogP3.00
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine?
The IUPAC name of 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine (CID 166595375) is 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine?
The canonical SMILES for 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine is COc1ccc(-c2ncc(N)cc2Cl)cc1OC.
What is the InChIKey of 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine?
The InChIKey is VCGLHFZHYMTTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-11-4-3-8(5-12(11)18-2)13-10(14)6-9(15)7-16-13/h3-7H,15H2,1-2H3.
What are the key properties of 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine?
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine has a molecular weight of 264.71 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 166595375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).