2-chloro-4-N-methylpyridine-3,4-diamine

C6H8ClN3 — CID 915180

IUPAC2-chloro-4-N-methylpyridine-3,4-diamine
SMILESCNc1ccnc(Cl)c1N
InChIInChI=1S/C6H8ClN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyPLOHMGUEAHHTKK-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.36
Rot. Bonds1

About 2-chloro-4-N-methylpyridine-3,4-diamine

2-chloro-4-N-methylpyridine-3,4-diamine (PubChem CID 915180) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-methylpyridine-3,4-diamine
PubChem CID915180
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name2-chloro-4-N-methylpyridine-3,4-diamine
SMILESCNc1ccnc(Cl)c1N
InChIInChI=1S/C6H8ClN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyPLOHMGUEAHHTKK-UHFFFAOYSA-N
XLogP1.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.36
H-Bond Donors ≤ 52
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-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 2-chloro-4-N-methylpyridine-3,4-diamine (CID 915180) is 2-chloro-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 2-chloro-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 2-chloro-4-N-methylpyridine-3,4-diamine is CNc1ccnc(Cl)c1N.
What is the InChIKey of 2-chloro-4-N-methylpyridine-3,4-diamine?
The InChIKey is PLOHMGUEAHHTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of 2-chloro-4-N-methylpyridine-3,4-diamine?
2-chloro-4-N-methylpyridine-3,4-diamine has a molecular weight of 157.60 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 915180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).