3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine

C9H10BrClN2 — CID 114836115

IUPAC3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
SMILESC=CC(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C9H10BrClN2/c1-3-6(2)13-9-8(10)4-7(11)5-12-9/h3-6H,1H2,2H3,(H,12,13)
InChIKeySWKRKPZOYHNKHI-UHFFFAOYSA-N
MW261.55 g/mol
LogP3.48
Rot. Bonds3

About 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine

3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine (PubChem CID 114836115) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
PubChem CID114836115
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC Name3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
SMILESC=CC(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C9H10BrClN2/c1-3-6(2)13-9-8(10)4-7(11)5-12-9/h3-6H,1H2,2H3,(H,12,13)
InChIKeySWKRKPZOYHNKHI-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796376
N-but-3-en-2-yl-3-chloropyrazin-2-amine
CID 106195760

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine?
The IUPAC name of 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine (CID 114836115) is 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine?
The canonical SMILES for 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine is C=CC(C)Nc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine?
The InChIKey is SWKRKPZOYHNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-3-6(2)13-9-8(10)4-7(11)5-12-9/h3-6H,1H2,2H3,(H,12,13).
What are the key properties of 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine?
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine has a molecular weight of 261.55 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine is sourced from PubChem (CID 114836115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).