5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine

C8H9BrN2 — CID 143540413

IUPAC5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine
SMILESC/C=C/Nc1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2/c1-2-5-10-8-4-3-7(9)6-11-8/h2-6H,1H3,(H,10,11)/b5-2+
InChIKeyRJCBVLOFLJTYAH-GORDUTHDSA-N
MW213.08 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine

5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine (PubChem CID 143540413) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine
PubChem CID143540413
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine
SMILESC/C=C/Nc1ccc(Br)cn1
InChIInChI=1S/C8H9BrN2/c1-2-5-10-8-4-3-7(9)6-11-8/h2-6H,1H3,(H,10,11)/b5-2+
InChIKeyRJCBVLOFLJTYAH-GORDUTHDSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(5-bromo-2-pyridinyl)amino]-1-(4-chlorophenyl)prop-2-en-1-one
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5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
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5-bromo-N-pentan-3-ylpyridin-2-amine
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sodium N-(5-bromo-2-pyridinyl)nitrous amide
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1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine (CID 143540413) is 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine is C/C=C/Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine?
The InChIKey is RJCBVLOFLJTYAH-GORDUTHDSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-2-5-10-8-4-3-7(9)6-11-8/h2-6H,1H3,(H,10,11)/b5-2+.
What are the key properties of 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine?
5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine has a molecular weight of 213.08 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 143540413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).