3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine

C8H10BrClN2 — CID 106878907

IUPAC3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCCl)c1Br
InChIInChI=1S/C8H10BrClN2/c1-6-2-4-11-8(7(6)9)12-5-3-10/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyQUVVBNQDBXNVHF-UHFFFAOYSA-N
MW249.54 g/mol
LogP2.80
Rot. Bonds3

About 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine

3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine (PubChem CID 106878907) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
PubChem CID106878907
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCCl)c1Br
InChIInChI=1S/C8H10BrClN2/c1-6-2-4-11-8(7(6)9)12-5-3-10/h2,4H,3,5H2,1H3,(H,11,12)
InChIKeyQUVVBNQDBXNVHF-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 106875503
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
1-N-(3-bromo-4-methyl-2-pyridinyl)-4-methoxybutane-1,3-diamine
CID 106244122
1-N-(3-bromo-4-methyl-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106875638
3-bromo-N-(2-chloropentyl)-4-methylpyridin-2-amine
CID 106879056

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine (CID 106878907) is 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine is Cc1ccnc(NCCCl)c1Br.
What is the InChIKey of 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine?
The InChIKey is QUVVBNQDBXNVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2/c1-6-2-4-11-8(7(6)9)12-5-3-10/h2,4H,3,5H2,1H3,(H,11,12).
What are the key properties of 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine?
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine has a molecular weight of 249.54 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106878907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).