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

C18H10ClFN4O2 — CID 5119563

IUPAC2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccccc2F)nc1N
InChIInChI=1S/C18H10ClFN4O2/c19-15-6-5-10(24(25)26)7-13(15)12-8-17(23-18(22)14(12)9-21)11-3-1-2-4-16(11)20/h1-8H,(H2,22,23)
InChIKeyCIIVZMPKIIKDRM-UHFFFAOYSA-N
MW368.76 g/mol
LogP4.57
Rot. Bonds3

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

2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile (PubChem CID 5119563) has the molecular formula C18H10ClFN4O2 and a molecular weight of 368.76 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
PubChem CID5119563
Molecular FormulaC18H10ClFN4O2
Molecular Weight368.76 g/mol
Exact Mass368.05
IUPAC Name2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccccc2F)nc1N
InChIInChI=1S/C18H10ClFN4O2/c19-15-6-5-10(24(25)26)7-13(15)12-8-17(23-18(22)14(12)9-21)11-3-1-2-4-16(11)20/h1-8H,(H2,22,23)
InChIKeyCIIVZMPKIIKDRM-UHFFFAOYSA-N
XLogP4.57
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.76
LogP ≤ 54.57
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'}

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Related Compounds

2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230675
2-amino-6-(2-bromophenyl)-4-(2-chloro-5-nitrophenyl)pyridine-3-carbonitrile
CID 5117890
2-amino-4-(2-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-4-(2-fluorophenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3355373
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(4-chloro-3-nitrophenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659440
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-4-(2-fluorophenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118076
5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
2-amino-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10039244

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile (CID 5119563) is 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2cc([N+](=O)[O-])ccc2Cl)cc(-c2ccccc2F)nc1N.
What is the InChIKey of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
The InChIKey is CIIVZMPKIIKDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN4O2/c19-15-6-5-10(24(25)26)7-13(15)12-8-17(23-18(22)14(12)9-21)11-3-1-2-4-16(11)20/h1-8H,(H2,22,23).
What are the key properties of 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile?
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile has a molecular weight of 368.76 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5119563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).