6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine

C11H16ClN3O2 — CID 102809432

IUPAC6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
SMILESCC(C)C(C)N(C)c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-7(2)8(3)14(4)11-6-9(15(16)17)5-10(12)13-11/h5-8H,1-4H3
InChIKeyYCNOADFLZJZMRH-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.12
Rot. Bonds4

About 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine

6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine (PubChem CID 102809432) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
PubChem CID102809432
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine
SMILESCC(C)C(C)N(C)c1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-7(2)8(3)14(4)11-6-9(15(16)17)5-10(12)13-11/h5-8H,1-4H3
InChIKeyYCNOADFLZJZMRH-UHFFFAOYSA-N
XLogP3.12
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-methyl-2-N-(3-methylbutan-2-yl)pyridine-2,4-diamine
CID 102809431
6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
CID 103888875
3-[(6-chloro-4-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103888883
6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine
CID 114070824
6-chloro-N-methyl-N-(2-methylphenyl)-4-nitropyridin-2-amine
CID 114070833
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
CID 103888286
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 83076492
6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 114159167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine (CID 102809432) is 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine is CC(C)C(C)N(C)c1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine?
The InChIKey is YCNOADFLZJZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2)8(3)14(4)11-6-9(15(16)17)5-10(12)13-11/h5-8H,1-4H3.
What are the key properties of 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine?
6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3-methylbutan-2-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 102809432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).