2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile

C18H10BrClN4O2 — CID 5117890

IUPAC2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccccc2Br)nc1N
InChIInChI=1S/C18H10BrClN4O2/c19-15-4-2-1-3-11(15)17-8-12(14(9-21)18(22)23-17)13-7-10(24(25)26)5-6-16(13)20/h1-8H,(H2,22,23)
InChIKeyBTRCHSHUCWIJHM-UHFFFAOYSA-N
MW429.66 g/mol
LogP5.19
Rot. Bonds3

About 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile

2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile (PubChem CID 5117890) has the molecular formula C18H10BrClN4O2 and a molecular weight of 429.66 g/mol. Its IUPAC name is 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
PubChem CID5117890
Molecular FormulaC18H10BrClN4O2
Molecular Weight429.66 g/mol
Exact Mass427.97
IUPAC Name2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccccc2Br)nc1N
InChIInChI=1S/C18H10BrClN4O2/c19-15-4-2-1-3-11(15)17-8-12(14(9-21)18(22)23-17)13-7-10(24(25)26)5-6-16(13)20/h1-8H,(H2,22,23)
InChIKeyBTRCHSHUCWIJHM-UHFFFAOYSA-N
XLogP5.19
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile (CID 5117890) is 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccccc2Br)nc1N.
What is the InChIKey of 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile?
The InChIKey is BTRCHSHUCWIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN4O2/c19-15-4-2-1-3-11(15)17-8-12(14(9-21)18(22)23-17)13-7-10(24(25)26)5-6-16(13)20/h1-8H,(H2,22,23).
What are the key properties of 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile?
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile has a molecular weight of 429.66 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5117890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).