6-bromo-N-ethylpyridin-3-amine;hydrochloride

C7H10BrClN2 — CID 87426556

IUPAC6-bromo-N-ethylpyridin-3-amine;hydrochloride
SMILESCCNc1ccc(Br)nc1.Cl
InChIInChI=1S/C7H9BrN2.ClH/c1-2-9-6-3-4-7(8)10-5-6;/h3-5,9H,2H2,1H3;1H
InChIKeyXGGWYHCTHSGLBH-UHFFFAOYSA-N
MW237.53 g/mol
LogP2.70
Rot. Bonds2

About 6-bromo-N-ethylpyridin-3-amine;hydrochloride

6-bromo-N-ethylpyridin-3-amine;hydrochloride (PubChem CID 87426556) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is 6-bromo-N-ethylpyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-ethylpyridin-3-amine;hydrochloride
PubChem CID87426556
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name6-bromo-N-ethylpyridin-3-amine;hydrochloride
SMILESCCNc1ccc(Br)nc1.Cl
InChIInChI=1S/C7H9BrN2.ClH/c1-2-9-6-3-4-7(8)10-5-6;/h3-5,9H,2H2,1H3;1H
InChIKeyXGGWYHCTHSGLBH-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(ethylsulfamoyl)pyridin-3-amine
CID 110614761
N-(5-bromopyrazin-2-yl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641632
6-bromo-N-[(1-methylcyclobutyl)methyl]pyridin-3-amine
CID 130918006
N-ethyl-6-propan-2-ylpyridin-3-amine
CID 20605692
6-bromo-N-(3-ethylcyclobutyl)pyridin-3-amine
CID 130685172
5-N-ethyl-2-N-propylpyridine-2,5-diamine
CID 82104306
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
5-N-(4-bromophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532357
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine;hydrochloride
CID 174836554
6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
CID 103529167

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethylpyridin-3-amine;hydrochloride?
The IUPAC name of 6-bromo-N-ethylpyridin-3-amine;hydrochloride (CID 87426556) is 6-bromo-N-ethylpyridin-3-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-ethylpyridin-3-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-ethylpyridin-3-amine;hydrochloride is CCNc1ccc(Br)nc1.Cl.
What is the InChIKey of 6-bromo-N-ethylpyridin-3-amine;hydrochloride?
The InChIKey is XGGWYHCTHSGLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2.ClH/c1-2-9-6-3-4-7(8)10-5-6;/h3-5,9H,2H2,1H3;1H.
What are the key properties of 6-bromo-N-ethylpyridin-3-amine;hydrochloride?
6-bromo-N-ethylpyridin-3-amine;hydrochloride has a molecular weight of 237.53 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethylpyridin-3-amine;hydrochloride is sourced from PubChem (CID 87426556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).