2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile

C8H6ClN4+ — CID 6932804

IUPAC2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile
SMILESCc1c(C#N)c(N)[nH+]c(Cl)c1C#N
InChIInChI=1S/C8H5ClN4/c1-4-5(2-10)7(9)13-8(12)6(4)3-11/h1H3,(H2,12,13)/p+1
InChIKeyKXEZBQTZEBDTNH-UHFFFAOYSA-O
MW193.62 g/mol
LogP0.79
Rot. Bonds

About 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile

2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile (PubChem CID 6932804) has the molecular formula C8H6ClN4+ and a molecular weight of 193.62 g/mol. Its IUPAC name is 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile
PubChem CID6932804
Molecular FormulaC8H6ClN4+
Molecular Weight193.62 g/mol
Exact Mass193.03
IUPAC Name2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile
SMILESCc1c(C#N)c(N)[nH+]c(Cl)c1C#N
InChIInChI=1S/C8H5ClN4/c1-4-5(2-10)7(9)13-8(12)6(4)3-11/h1H3,(H2,12,13)/p+1
InChIKeyKXEZBQTZEBDTNH-UHFFFAOYSA-O
XLogP0.79
TPSA87.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.62
LogP ≤ 50.79
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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Related Compounds

2,3,5-trichloro-6-methylbenzene-1,4-dicarbonitrile
CID 23382496
2-amino-5-[(2,4-dichlorophenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 7007456
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridin-1-ium-3-carbonitrile
CID 7324662
2,4-difluoro-6-methylbenzene-1,3,5-tricarbonitrile
CID 167515087
2-amino-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile
CID 7395737
3,4,5,6-tetrachloropyridin-1-ium-2-amine
CID 7164503
2-amino-4,6-dimethyl-5-[(5-methylfuran-2-yl)methylidene]cyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 6936787
2-amino-4-(2,4-dichlorophenyl)-6-methoxypyridin-1-ium-3,5-dicarbonitrile
CID 6922232
CID 20574287
CID 20574287
2-amino-6-chloro-4-methylpyridine-3-carbonitrile
CID 5149878
2-amino-5-[(4-methoxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridin-1-ium-3,7-dicarbonitrile
CID 4122061
2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile
CID 6952838

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile (CID 6932804) is 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile is Cc1c(C#N)c(N)[nH+]c(Cl)c1C#N.
What is the InChIKey of 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is KXEZBQTZEBDTNH-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile?
2-amino-6-chloro-4-methylpyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 193.62 g/mol, XLogP of 0.79, 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-methylpyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 6932804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).