3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine

C14H15N3O2 — CID 23279474

IUPAC3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)c(Nc2ncccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H15N3O2/c1-9-7-10(2)13(11(3)8-9)16-14-12(17(18)19)5-4-6-15-14/h4-8H,1-3H3,(H,15,16)
InChIKeyBAUOQCZPEYFBHR-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.66
Rot. Bonds3

About 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine

3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine (PubChem CID 23279474) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
PubChem CID23279474
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
SMILESCc1cc(C)c(Nc2ncccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C14H15N3O2/c1-9-7-10(2)13(11(3)8-9)16-14-12(17(18)19)5-4-6-15-14/h4-8H,1-3H3,(H,15,16)
InChIKeyBAUOQCZPEYFBHR-UHFFFAOYSA-N
XLogP3.66
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.66
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-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
N-methyl-3-nitropyridin-2-amine
CID 556349
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
3,4-dimethyl-5-N-(3-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 146173085
7-methyl-5-nitroquinoline
CID 137347294
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
but-2-ene;ethane;N-(3-methylphenyl)-3-nitropyridin-2-amine;3-nitro-N-phenylpyridin-2-amine;prop-1-ene
CID 162194735
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The IUPAC name of 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine (CID 23279474) is 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The canonical SMILES for 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine is Cc1cc(C)c(Nc2ncccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
The InChIKey is BAUOQCZPEYFBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-10(2)13(11(3)8-9)16-14-12(17(18)19)5-4-6-15-14/h4-8H,1-3H3,(H,15,16).
What are the key properties of 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine?
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine is sourced from PubChem (CID 23279474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).