2-amino-6-chloro-4-methylpyridine-3-carbonitrile

C7H6ClN3 — CID 5149878

IUPAC2-amino-6-chloro-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Cl)nc(N)c1C#N
InChIInChI=1S/C7H6ClN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11)
InChIKeyNWBGQBHPVHVALZ-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.50
Rot. Bonds

About 2-amino-6-chloro-4-methylpyridine-3-carbonitrile

2-amino-6-chloro-4-methylpyridine-3-carbonitrile (PubChem CID 5149878) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 2-amino-6-chloro-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-methylpyridine-3-carbonitrile
PubChem CID5149878
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name2-amino-6-chloro-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Cl)nc(N)c1C#N
InChIInChI=1S/C7H6ClN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11)
InChIKeyNWBGQBHPVHVALZ-UHFFFAOYSA-N
XLogP1.50
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.50
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-amino-6-chloro-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-chloro-4-methylpyridine-3-carbonitrile (CID 5149878) is 2-amino-6-chloro-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-methylpyridine-3-carbonitrile is Cc1cc(Cl)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-chloro-4-methylpyridine-3-carbonitrile?
The InChIKey is NWBGQBHPVHVALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-4-2-6(8)11-7(10)5(4)3-9/h2H,1H3,(H2,10,11).
What are the key properties of 2-amino-6-chloro-4-methylpyridine-3-carbonitrile?
2-amino-6-chloro-4-methylpyridine-3-carbonitrile has a molecular weight of 167.60 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 5149878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).