2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile

C8H5ClN4 — CID 606000

IUPAC2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(N)nc(Cl)c1C#N
InChIInChI=1S/C8H5ClN4/c1-4-5(2-10)7(9)13-8(12)6(4)3-11/h1H3,(H2,12,13)
InChIKeyKXEZBQTZEBDTNH-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.37
Rot. Bonds

About 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile

2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile (PubChem CID 606000) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile
PubChem CID606000
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile
SMILESCc1c(C#N)c(N)nc(Cl)c1C#N
InChIInChI=1S/C8H5ClN4/c1-4-5(2-10)7(9)13-8(12)6(4)3-11/h1H3,(H2,12,13)
InChIKeyKXEZBQTZEBDTNH-UHFFFAOYSA-N
XLogP1.37
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile (CID 606000) is 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile is Cc1c(C#N)c(N)nc(Cl)c1C#N.
What is the InChIKey of 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile?
The InChIKey is KXEZBQTZEBDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c1-4-5(2-10)7(9)13-8(12)6(4)3-11/h1H3,(H2,12,13).
What are the key properties of 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile?
2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-methylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 606000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).