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

C13H13ClN2O2 — CID 42281401

IUPAC2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2cnc(Cl)c(N)c2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-11-4-3-8(6-12(11)18-2)9-5-10(15)13(14)16-7-9/h3-7H,15H2,1-2H3
InChIKeyHALCKTXLWAIQMV-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.00
Rot. Bonds3

About 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine

2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine (PubChem CID 42281401) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
PubChem CID42281401
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2cnc(Cl)c(N)c2)cc1OC
InChIInChI=1S/C13H13ClN2O2/c1-17-11-4-3-8(6-12(11)18-2)9-5-10(15)13(14)16-7-9/h3-7H,15H2,1-2H3
InChIKeyHALCKTXLWAIQMV-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3-methoxyphenyl)pyridin-3-amine
CID 105495489
5-chloro-6-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 166595375
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
5-(4-chlorophenyl)-2-methoxypyridin-3-amine
CID 105495486
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine?
The IUPAC name of 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine (CID 42281401) is 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine is COc1ccc(-c2cnc(Cl)c(N)c2)cc1OC.
What is the InChIKey of 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine?
The InChIKey is HALCKTXLWAIQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-17-11-4-3-8(6-12(11)18-2)9-5-10(15)13(14)16-7-9/h3-7H,15H2,1-2H3.
What are the key properties of 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine?
2-chloro-5-(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 2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 42281401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).