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

C6H6Cl2N2 — CID 15164128

IUPAC2,6-dichloro-N-methylpyridin-3-amine
SMILESCNc1ccc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2/c1-9-4-2-3-5(7)10-6(4)8/h2-3,9H,1H3
InChIKeyXSFAEFGHBXRXHX-UHFFFAOYSA-N
MW177.03 g/mol
LogP2.43
Rot. Bonds1

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

2,6-dichloro-N-methylpyridin-3-amine (PubChem CID 15164128) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 2,6-dichloro-N-methylpyridin-3-amine.

Molecular Properties

Compound Name2,6-dichloro-N-methylpyridin-3-amine
PubChem CID15164128
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name2,6-dichloro-N-methylpyridin-3-amine
SMILESCNc1ccc(Cl)nc1Cl
InChIInChI=1S/C6H6Cl2N2/c1-9-4-2-3-5(7)10-6(4)8/h2-3,9H,1H3
InChIKeyXSFAEFGHBXRXHX-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 52.43
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-N-methylpyridin-3-amine?
The IUPAC name of 2,6-dichloro-N-methylpyridin-3-amine (CID 15164128) is 2,6-dichloro-N-methylpyridin-3-amine.
What is the SMILES notation for 2,6-dichloro-N-methylpyridin-3-amine?
The canonical SMILES for 2,6-dichloro-N-methylpyridin-3-amine is CNc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-methylpyridin-3-amine?
The InChIKey is XSFAEFGHBXRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c1-9-4-2-3-5(7)10-6(4)8/h2-3,9H,1H3.
What are the key properties of 2,6-dichloro-N-methylpyridin-3-amine?
2,6-dichloro-N-methylpyridin-3-amine has a molecular weight of 177.03 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methylpyridin-3-amine is sourced from PubChem (CID 15164128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).