3-methyl-4-nitropyridin-2-amine

C6H7N3O2 — CID 19758038

IUPAC3-methyl-4-nitropyridin-2-amine
SMILESCc1c([N+](=O)[O-])ccnc1N
InChIInChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-8-6(4)7/h2-3H,1H3,(H2,7,8)
InChIKeyMDIJRDFZMBMOGB-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.88
Rot. Bonds1

About 3-methyl-4-nitropyridin-2-amine

3-methyl-4-nitropyridin-2-amine (PubChem CID 19758038) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-4-nitropyridin-2-amine
PubChem CID19758038
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name3-methyl-4-nitropyridin-2-amine
SMILESCc1c([N+](=O)[O-])ccnc1N
InChIInChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-8-6(4)7/h2-3H,1H3,(H2,7,8)
InChIKeyMDIJRDFZMBMOGB-UHFFFAOYSA-N
XLogP0.88
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
3-methyl-4-nitropyridine-2-carboxylic acid
CID 21297413
2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2-methyl-4-nitropyridine
CID 21364039
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
4-(2-methyl-3-nitrophenyl)pyrimidin-2-amine
CID 141210561
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
4-(4-methylphenyl)-3-nitropyridin-2-amine
CID 138986311
3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 146173085
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
2-amino-3-methyl-4-nitrophenol
CID 86240740

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitropyridin-2-amine?
The IUPAC name of 3-methyl-4-nitropyridin-2-amine (CID 19758038) is 3-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-4-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-4-nitropyridin-2-amine is Cc1c([N+](=O)[O-])ccnc1N.
What is the InChIKey of 3-methyl-4-nitropyridin-2-amine?
The InChIKey is MDIJRDFZMBMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-4-5(9(10)11)2-3-8-6(4)7/h2-3H,1H3,(H2,7,8).
What are the key properties of 3-methyl-4-nitropyridin-2-amine?
3-methyl-4-nitropyridin-2-amine has a molecular weight of 153.14 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 19758038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).