6-methyl-N-(2-nitrophenyl)pyridin-2-amine

C12H11N3O2 — CID 69251400

IUPAC6-methyl-N-(2-nitrophenyl)pyridin-2-amine
SMILESCc1cccc(Nc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H11N3O2/c1-9-5-4-8-12(13-9)14-10-6-2-3-7-11(10)15(16)17/h2-8H,1H3,(H,13,14)
InChIKeyPCJYOBZEESZNSJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.04
Rot. Bonds3

About 6-methyl-N-(2-nitrophenyl)pyridin-2-amine

6-methyl-N-(2-nitrophenyl)pyridin-2-amine (PubChem CID 69251400) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-methyl-N-(2-nitrophenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(2-nitrophenyl)pyridin-2-amine
PubChem CID69251400
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-methyl-N-(2-nitrophenyl)pyridin-2-amine
SMILESCc1cccc(Nc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H11N3O2/c1-9-5-4-8-12(13-9)14-10-6-2-3-7-11(10)15(16)17/h2-8H,1H3,(H,13,14)
InChIKeyPCJYOBZEESZNSJ-UHFFFAOYSA-N
XLogP3.04
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.04
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

N-(2-nitrophenyl)quinolin-2-amine
CID 54688542
3-methyl-N-(2-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 146271561
N-(2-fluorophenyl)-6-methylpyridin-2-amine
CID 142686342
3-fluoro-2-methyl-N-(2-nitrophenyl)aniline
CID 68895859
N-[2-(chloromethyl)phenyl]-6-methylpyridin-2-amine
CID 65027662
4-N-(6-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)-5-nitropyrimidine-4,6-diamine
CID 23480836
N-(2-nitrophenyl)pyridin-4-amine
CID 2784609
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
4-methyl-1-N-(2-nitrophenyl)benzene-1,2-diamine
CID 89316368
2-methyl-N-(2-nitrophenyl)pyrazol-3-amine
CID 142742599
4-N-cyclopentyl-6-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480950
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-nitrophenyl)pyridin-2-amine?
The IUPAC name of 6-methyl-N-(2-nitrophenyl)pyridin-2-amine (CID 69251400) is 6-methyl-N-(2-nitrophenyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(2-nitrophenyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-N-(2-nitrophenyl)pyridin-2-amine is Cc1cccc(Nc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-methyl-N-(2-nitrophenyl)pyridin-2-amine?
The InChIKey is PCJYOBZEESZNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9-5-4-8-12(13-9)14-10-6-2-3-7-11(10)15(16)17/h2-8H,1H3,(H,13,14).
What are the key properties of 6-methyl-N-(2-nitrophenyl)pyridin-2-amine?
6-methyl-N-(2-nitrophenyl)pyridin-2-amine has a molecular weight of 229.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-nitrophenyl)pyridin-2-amine is sourced from PubChem (CID 69251400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).