2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C16H11N5O2 — CID 5209410

IUPAC2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc[nH]2)cc(-c2ccc([N+](=O)[O-])cc2)nc1N
InChIInChI=1S/C16H11N5O2/c17-9-13-12(14-2-1-7-19-14)8-15(20-16(13)18)10-3-5-11(6-4-10)21(22)23/h1-8,19H,(H2,18,20)
InChIKeyUPDHLWRURCINFP-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.11
Rot. Bonds3

About 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 5209410) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID5209410
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc[nH]2)cc(-c2ccc([N+](=O)[O-])cc2)nc1N
InChIInChI=1S/C16H11N5O2/c17-9-13-12(14-2-1-7-19-14)8-15(20-16(13)18)10-3-5-11(6-4-10)21(22)23/h1-8,19H,(H2,18,20)
InChIKeyUPDHLWRURCINFP-UHFFFAOYSA-N
XLogP3.11
TPSA121.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.11
H-Bond Donors ≤ 52
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-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258576
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-(3,4-dimethylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 3485199
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
3-[4-[6-amino-5-cyano-4-(4-nitrophenyl)-2-pyridinyl]phenyl]oxadiazol-3-ium-5-olate
CID 11361572
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 73353825
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
2-amino-6-(4-chlorophenyl)-4-(5-nitro-1-benzothiophen-2-yl)pyridine-3-carbonitrile
CID 13085756
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 5209410) is 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc[nH]2)cc(-c2ccc([N+](=O)[O-])cc2)nc1N.
What is the InChIKey of 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is UPDHLWRURCINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c17-9-13-12(14-2-1-7-19-14)8-15(20-16(13)18)10-3-5-11(6-4-10)21(22)23/h1-8,19H,(H2,18,20).
What are the key properties of 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 305.30 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 5209410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).