2,6-dichloro-4-methylpyridin-3-amine

C6H6Cl2N2 — CID 701012

IUPAC2,6-dichloro-4-methylpyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1N
InChIInChI=1S/C6H6Cl2N2/c1-3-2-4(7)10-6(8)5(3)9/h2H,9H2,1H3
InChIKeyAULKGEJDEAKINM-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.28
Rot. Bonds

About 2,6-dichloro-4-methylpyridin-3-amine

2,6-dichloro-4-methylpyridin-3-amine (PubChem CID 701012) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,6-dichloro-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2,6-dichloro-4-methylpyridin-3-amine
PubChem CID701012
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name2,6-dichloro-4-methylpyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1N
InChIInChI=1S/C6H6Cl2N2/c1-3-2-4(7)10-6(8)5(3)9/h2H,9H2,1H3
InChIKeyAULKGEJDEAKINM-UHFFFAOYSA-N
XLogP2.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,6-dichloro-4-methylpyridin-3-amine?
The IUPAC name of 2,6-dichloro-4-methylpyridin-3-amine (CID 701012) is 2,6-dichloro-4-methylpyridin-3-amine.
What is the SMILES notation for 2,6-dichloro-4-methylpyridin-3-amine?
The canonical SMILES for 2,6-dichloro-4-methylpyridin-3-amine is Cc1cc(Cl)nc(Cl)c1N.
What is the InChIKey of 2,6-dichloro-4-methylpyridin-3-amine?
The InChIKey is AULKGEJDEAKINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-3-2-4(7)10-6(8)5(3)9/h2H,9H2,1H3.
What are the key properties of 2,6-dichloro-4-methylpyridin-3-amine?
2,6-dichloro-4-methylpyridin-3-amine has a molecular weight of 177.03 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylpyridin-3-amine is sourced from PubChem (CID 701012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).