2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile

C18H12ClN4O2+ — CID 7378069

IUPAC2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Cl)cc2)[nH+]c1N
InChIInChI=1S/C18H11ClN4O2/c19-13-6-4-11(5-7-13)17-9-15(16(10-20)18(21)22-17)12-2-1-3-14(8-12)23(24)25/h1-9H,(H2,21,22)/p+1
InChIKeyKSVWRKDNHMIWEI-UHFFFAOYSA-O
MW351.77 g/mol
LogP3.85
Rot. Bonds3

About 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile

2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile (PubChem CID 7378069) has the molecular formula C18H12ClN4O2+ and a molecular weight of 351.77 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile
PubChem CID7378069
Molecular FormulaC18H12ClN4O2+
Molecular Weight351.77 g/mol
Exact Mass351.06
IUPAC Name2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Cl)cc2)[nH+]c1N
InChIInChI=1S/C18H11ClN4O2/c19-13-6-4-11(5-7-13)17-9-15(16(10-20)18(21)22-17)12-2-1-3-14(8-12)23(24)25/h1-9H,(H2,21,22)/p+1
InChIKeyKSVWRKDNHMIWEI-UHFFFAOYSA-O
XLogP3.85
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 16790602
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
4-chloro-5-(3-nitrophenyl)pyridine-3-carbonitrile
CID 68947176
3-amino-5-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
CID 10633155
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
3-chloro-5-(3-nitrophenyl)-1,2-thiazole-4-carbonitrile
CID 11097466

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile (CID 7378069) is 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile is N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2ccc(Cl)cc2)[nH+]c1N.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile?
The InChIKey is KSVWRKDNHMIWEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H11ClN4O2/c19-13-6-4-11(5-7-13)17-9-15(16(10-20)18(21)22-17)12-2-1-3-14(8-12)23(24)25/h1-9H,(H2,21,22)/p+1.
What are the key properties of 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile?
2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile has a molecular weight of 351.77 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 7378069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).