1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile

C10H6N4O2 — CID 114653386

IUPAC1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N4O2/c11-7-8-3-2-6-13(8)10-9(14(15)16)4-1-5-12-10/h1-6H
InChIKeyVDKZDGTXLBNDDQ-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.65
Rot. Bonds2

About 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile

1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile (PubChem CID 114653386) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
PubChem CID114653386
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N4O2/c11-7-8-3-2-6-13(8)10-9(14(15)16)4-1-5-12-10/h1-6H
InChIKeyVDKZDGTXLBNDDQ-UHFFFAOYSA-N
XLogP1.65
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
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-(2-cyanopyrrol-1-yl)pyridine-3-carboxylic acid
CID 114650657
1-(5-methyl-4-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653217
1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114655593
1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
CID 114653212
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
CID 2806149
2-methyl-2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 60677904
4-(2-cyanopyrrol-1-yl)-2-nitrobenzoic acid
CID 114650597
4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26437253
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9195567
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
1-(3-methylsulfonyl-2-nitrophenyl)pyrrole-2-carbonitrile
CID 114653403

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile (CID 114653386) is 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1ncccc1[N+](=O)[O-].
What is the InChIKey of 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
The InChIKey is VDKZDGTXLBNDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c11-7-8-3-2-6-13(8)10-9(14(15)16)4-1-5-12-10/h1-6H.
What are the key properties of 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile has a molecular weight of 214.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114653386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).