3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine

C10H9N3O2 — CID 172593409

IUPAC3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine
SMILESCc1ccc(-c2cncc([N+](=O)[O-])c2)[nH]1
InChIInChI=1S/C10H9N3O2/c1-7-2-3-10(12-7)8-4-9(13(14)15)6-11-5-8/h2-6,12H,1H3
InChIKeyKZVFWSWIMJTCIG-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.29
Rot. Bonds2

About 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine

3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine (PubChem CID 172593409) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine
PubChem CID172593409
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine
SMILESCc1ccc(-c2cncc([N+](=O)[O-])c2)[nH]1
InChIInChI=1S/C10H9N3O2/c1-7-2-3-10(12-7)8-4-9(13(14)15)6-11-5-8/h2-6,12H,1H3
InChIKeyKZVFWSWIMJTCIG-UHFFFAOYSA-N
XLogP2.29
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(5-nitro-3-pyridinyl)pyridine
CID 70542903
5-nitropyridin-3-amine;hydrochloride
CID 53408315
5-methyl-3-(4-nitrophenyl)-1H-pyrazole;hydrochloride
CID 121230197
2-methyl-7-nitro-1H-pyrrolo[2,3-g]quinoline
CID 12524049
5-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
(1R)-1-(5-nitro-3-pyridinyl)ethanamine
CID 96849811
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697
N-methyl-5-nitropyridine-3-carboxamide
CID 21405292
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
3-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5-nitropyridin-2-amine
CID 133415000
2-(1-methylpyrazol-3-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 162474156

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine?
The IUPAC name of 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine (CID 172593409) is 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine.
What is the SMILES notation for 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine?
The canonical SMILES for 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine is Cc1ccc(-c2cncc([N+](=O)[O-])c2)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine?
The InChIKey is KZVFWSWIMJTCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-2-3-10(12-7)8-4-9(13(14)15)6-11-5-8/h2-6,12H,1H3.
What are the key properties of 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine?
3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine has a molecular weight of 203.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine is sourced from PubChem (CID 172593409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).