1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile

C10H7N5O2 — CID 114655593

IUPAC1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H7N5O2/c11-6-7-2-1-5-14(7)9-4-3-8(15(16)17)10(12)13-9/h1-5H,(H2,12,13)
InChIKeyDUAQCYXPLAMQNI-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.23
Rot. Bonds2

About 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile

1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile (PubChem CID 114655593) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile
PubChem CID114655593
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H7N5O2/c11-6-7-2-1-5-14(7)9-4-3-8(15(16)17)10(12)13-9/h1-5H,(H2,12,13)
InChIKeyDUAQCYXPLAMQNI-UHFFFAOYSA-N
XLogP1.23
TPSA110.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(5-methyl-4-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653217
1-(3-nitro-2-pyridinyl)pyrrole-2-carbonitrile
CID 114653386
6-imidazol-1-yl-3-nitropyridin-2-amine
CID 10512423
1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
CID 114653212
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
4-(2-cyanopyrrol-1-yl)-2-nitrobenzoic acid
CID 114650597
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine
CID 79828151
1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
CID 114652110
6-(2-cyanopyrrol-1-yl)pyridine-3-carbonitrile
CID 114650786
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile (CID 114655593) is 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
The InChIKey is DUAQCYXPLAMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c11-6-7-2-1-5-14(7)9-4-3-8(15(16)17)10(12)13-9/h1-5H,(H2,12,13).
What are the key properties of 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile?
1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile has a molecular weight of 229.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitro-2-pyridinyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114655593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).