6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine

C13H11N5O2 — CID 79828151

IUPAC6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine
SMILESCc1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H11N5O2/c1-8-15-9-4-2-3-5-10(9)17(8)12-7-6-11(18(19)20)13(14)16-12/h2-7H,1H3,(H2,14,16)
InChIKeyQSUDAIRNTAXUQC-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.22
Rot. Bonds2

About 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine

6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine (PubChem CID 79828151) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine
PubChem CID79828151
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine
SMILESCc1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C13H11N5O2/c1-8-15-9-4-2-3-5-10(9)17(8)12-7-6-11(18(19)20)13(14)16-12/h2-7H,1H3,(H2,14,16)
InChIKeyQSUDAIRNTAXUQC-UHFFFAOYSA-N
XLogP2.22
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine (CID 79828151) is 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine is Cc1nc2ccccc2n1-c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine?
The InChIKey is QSUDAIRNTAXUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-15-9-4-2-3-5-10(9)17(8)12-7-6-11(18(19)20)13(14)16-12/h2-7H,1H3,(H2,14,16).
What are the key properties of 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine?
6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine has a molecular weight of 269.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 79828151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).