3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine

C10H14BrClN2O — CID 106242892

IUPAC3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
SMILESCOCC(Cl)CCNc1ncccc1Br
InChIInChI=1S/C10H14BrClN2O/c1-15-7-8(12)4-6-14-10-9(11)3-2-5-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,14)
InChIKeyCZFACCAVPBXUHW-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.90
Rot. Bonds6

About 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine

3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine (PubChem CID 106242892) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
PubChem CID106242892
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
SMILESCOCC(Cl)CCNc1ncccc1Br
InChIInChI=1S/C10H14BrClN2O/c1-15-7-8(12)4-6-14-10-9(11)3-2-5-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,14)
InChIKeyCZFACCAVPBXUHW-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(3-chloro-4-methoxybutyl)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

5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62642737
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-bromo-N-(2-chloro-3-methoxypropyl)-N-methylpyridin-2-amine
CID 63390234
3-chloro-4-methoxy-N-[(2-methoxy-3-pyridinyl)methyl]butan-1-amine
CID 106242391
N-(3-chloro-4-methoxybutyl)-1,3-thiazol-2-amine
CID 106243006
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
CID 106243313
N'-(3-bromo-2-pyridinyl)-N-cyclopropylethane-1,2-diamine
CID 62664309
3-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 63828444

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine (CID 106242892) is 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine is COCC(Cl)CCNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine?
The InChIKey is CZFACCAVPBXUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c1-15-7-8(12)4-6-14-10-9(11)3-2-5-13-10/h2-3,5,8H,4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine?
3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine has a molecular weight of 293.59 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine is sourced from PubChem (CID 106242892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).