(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine

C9H13ClN2O — CID 105453247

IUPAC(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine
SMILESCCc1nc(OC)c(CN)cc1Cl
InChIInChI=1S/C9H13ClN2O/c1-3-8-7(10)4-6(5-11)9(12-8)13-2/h4H,3,5,11H2,1-2H3
InChIKeyLFVFGOLSQJIHRU-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.76
Rot. Bonds3

About (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine

(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine (PubChem CID 105453247) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine
PubChem CID105453247
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine
SMILESCCc1nc(OC)c(CN)cc1Cl
InChIInChI=1S/C9H13ClN2O/c1-3-8-7(10)4-6(5-11)9(12-8)13-2/h4H,3,5,11H2,1-2H3
InChIKeyLFVFGOLSQJIHRU-UHFFFAOYSA-N
XLogP1.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine (CID 105453247) is (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine is CCc1nc(OC)c(CN)cc1Cl.
What is the InChIKey of (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine?
The InChIKey is LFVFGOLSQJIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-3-8-7(10)4-6(5-11)9(12-8)13-2/h4H,3,5,11H2,1-2H3.
What are the key properties of (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine?
(5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine has a molecular weight of 200.67 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-ethyl-2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105453247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).