3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine

C11H16ClN3O2 — CID 113238793

IUPAC3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
SMILESCCCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-4-5-11(2,3)14-10-9(12)6-8(7-13-10)15(16)17/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyPJOWOTJHYVJMFA-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.63
Rot. Bonds5

About 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine

3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine (PubChem CID 113238793) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
PubChem CID113238793
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
SMILESCCCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-4-5-11(2,3)14-10-9(12)6-8(7-13-10)15(16)17/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyPJOWOTJHYVJMFA-UHFFFAOYSA-N
XLogP3.63
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.63
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'}

Analyze 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine 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-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
CID 133309984
3-chloro-2-(2-methylpentan-2-ylamino)-5-nitrobenzoic acid
CID 107191220
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
3-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-5-nitropyridin-2-amine
CID 133380325
2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 62476852
3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 103679882
3-chloro-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 113238811
3-chloro-N-(1-methylcyclobutyl)-5-nitropyridin-2-amine
CID 103847594
2-methyl-N-(2-methylpentan-2-yl)-4-nitroaniline
CID 113471807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine?
The IUPAC name of 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine (CID 113238793) is 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine is CCCC(C)(C)Nc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine?
The InChIKey is PJOWOTJHYVJMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-4-5-11(2,3)14-10-9(12)6-8(7-13-10)15(16)17/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine?
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 113238793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).