2-chloro-5-methoxy-N-methylpyridin-3-amine

C7H9ClN2O — CID 86628068

IUPAC2-chloro-5-methoxy-N-methylpyridin-3-amine
SMILESCNc1cc(OC)cnc1Cl
InChIInChI=1S/C7H9ClN2O/c1-9-6-3-5(11-2)4-10-7(6)8/h3-4,9H,1-2H3
InChIKeyOGABKGTWUXOUCI-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.79
Rot. Bonds2

About 2-chloro-5-methoxy-N-methylpyridin-3-amine

2-chloro-5-methoxy-N-methylpyridin-3-amine (PubChem CID 86628068) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-methylpyridin-3-amine
PubChem CID86628068
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name2-chloro-5-methoxy-N-methylpyridin-3-amine
SMILESCNc1cc(OC)cnc1Cl
InChIInChI=1S/C7H9ClN2O/c1-9-6-3-5(11-2)4-10-7(6)8/h3-4,9H,1-2H3
InChIKeyOGABKGTWUXOUCI-UHFFFAOYSA-N
XLogP1.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-methylpyridin-3-amine?
The IUPAC name of 2-chloro-5-methoxy-N-methylpyridin-3-amine (CID 86628068) is 2-chloro-5-methoxy-N-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-5-methoxy-N-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-5-methoxy-N-methylpyridin-3-amine is CNc1cc(OC)cnc1Cl.
What is the InChIKey of 2-chloro-5-methoxy-N-methylpyridin-3-amine?
The InChIKey is OGABKGTWUXOUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-9-6-3-5(11-2)4-10-7(6)8/h3-4,9H,1-2H3.
What are the key properties of 2-chloro-5-methoxy-N-methylpyridin-3-amine?
2-chloro-5-methoxy-N-methylpyridin-3-amine has a molecular weight of 172.61 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-methylpyridin-3-amine is sourced from PubChem (CID 86628068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).