(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine

C9H13BrN2 — CID 103694350

IUPAC(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
SMILESCCC[C@H](N)c1ncccc1Br
InChIInChI=1S/C9H13BrN2/c1-2-4-8(11)9-7(10)5-3-6-12-9/h3,5-6,8H,2,4,11H2,1H3/t8-/m0/s1
InChIKeyZMRPEHDNYWNDCH-QMMMGPOBSA-N
MW229.12 g/mol
LogP2.64
Rot. Bonds3

About (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine

(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine (PubChem CID 103694350) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
PubChem CID103694350
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine
SMILESCCC[C@H](N)c1ncccc1Br
InChIInChI=1S/C9H13BrN2/c1-2-4-8(11)9-7(10)5-3-6-12-9/h3,5-6,8H,2,4,11H2,1H3/t8-/m0/s1
InChIKeyZMRPEHDNYWNDCH-QMMMGPOBSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(3-bromo-2-pyridinyl)butan-1-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

1-(3-bromo-2-pyridinyl)propan-1-amine
CID 112693253
1-(3-bromo-2-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114982995
3-(3-bromo-2-pyridinyl)-4-methylpentan-2-amine
CID 63198435
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 104804034
1-(3-bromo-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348316
2-[(1R)-1-aminopropyl]pyridin-3-amine
CID 131036341
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
(3-bromo-2-pyridinyl)-(1-propylpyrazol-4-yl)methanamine
CID 113398477
[1-(3-bromo-2-pyridinyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105267953
[2-[(1R)-1-aminopentyl]-3-pyridinyl]methanol
CID 55263692
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine?
The IUPAC name of (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine (CID 103694350) is (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine.
What is the SMILES notation for (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine?
The canonical SMILES for (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine is CCC[C@H](N)c1ncccc1Br.
What is the InChIKey of (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine?
The InChIKey is ZMRPEHDNYWNDCH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-2-4-8(11)9-7(10)5-3-6-12-9/h3,5-6,8H,2,4,11H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine?
(1S)-1-(3-bromo-2-pyridinyl)butan-1-amine has a molecular weight of 229.12 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromo-2-pyridinyl)butan-1-amine is sourced from PubChem (CID 103694350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).