3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine

C9H11Cl3N2 — CID 65027406

IUPAC3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
SMILESCC(C)(CCl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl3N2/c1-9(2,5-10)14-8-7(12)3-6(11)4-13-8/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyPPSZKRQXFHLXER-UHFFFAOYSA-N
MW253.56 g/mol
LogP3.82
Rot. Bonds3

About 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine

3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine (PubChem CID 65027406) has the molecular formula C9H11Cl3N2 and a molecular weight of 253.56 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
PubChem CID65027406
Molecular FormulaC9H11Cl3N2
Molecular Weight253.56 g/mol
Exact Mass252.00
IUPAC Name3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
SMILESCC(C)(CCl)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl3N2/c1-9(2,5-10)14-8-7(12)3-6(11)4-13-8/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyPPSZKRQXFHLXER-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-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

3,5-dichloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
CID 107867329
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 103584161
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
CID 159350440
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 114836148
6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153275
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
3,5-dichloro-N-(1-chlorobutan-2-yl)pyridin-2-amine
CID 65030297
(3,5-dichloro-2-pyridinyl)hydrazine;hydrate
CID 175331134
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine (CID 65027406) is 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine is CC(C)(CCl)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine?
The InChIKey is PPSZKRQXFHLXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl3N2/c1-9(2,5-10)14-8-7(12)3-6(11)4-13-8/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine?
3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine has a molecular weight of 253.56 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 65027406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).