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

C9H10BrCl3N2 — CID 103584161

IUPAC5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
SMILESCC(CCl)(CCl)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C9H10BrCl3N2/c1-9(4-11,5-12)15-8-7(13)2-6(10)3-14-8/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyZCPVGMFLIDSBJQ-UHFFFAOYSA-N
MW332.46 g/mol
LogP4.15
Rot. Bonds4

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

5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine (PubChem CID 103584161) has the molecular formula C9H10BrCl3N2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
PubChem CID103584161
Molecular FormulaC9H10BrCl3N2
Molecular Weight332.46 g/mol
Exact Mass329.91
IUPAC Name5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
SMILESCC(CCl)(CCl)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C9H10BrCl3N2/c1-9(4-11,5-12)15-8-7(13)2-6(10)3-14-8/h2-3H,4-5H2,1H3,(H,14,15)
InChIKeyZCPVGMFLIDSBJQ-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-3-chloro-N-(1,3-dichloro-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-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097078
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
1-N-(5-bromo-3-chloro-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 103582865
3,5-dichloro-N-(1-chloro-2-methylpropan-2-yl)pyridin-2-amine
CID 65027406
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329358
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine (CID 103584161) is 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine is CC(CCl)(CCl)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
The InChIKey is ZCPVGMFLIDSBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl3N2/c1-9(4-11,5-12)15-8-7(13)2-6(10)3-14-8/h2-3H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine has a molecular weight of 332.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103584161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).