1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea

C9H10BrN3O — CID 108910477

IUPAC1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H10BrN3O/c1-6(2)12-9(14)13-8-4-3-7(10)5-11-8/h3-5H,1H2,2H3,(H2,11,12,13,14)
InChIKeyMVYPJGAZFUZDEE-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.50
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea

1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea (PubChem CID 108910477) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
PubChem CID108910477
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H10BrN3O/c1-6(2)12-9(14)13-8-4-3-7(10)5-11-8/h3-5H,1H2,2H3,(H2,11,12,13,14)
InChIKeyMVYPJGAZFUZDEE-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea (CID 108910477) is 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea?
The InChIKey is MVYPJGAZFUZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c1-6(2)12-9(14)13-8-4-3-7(10)5-11-8/h3-5H,1H2,2H3,(H2,11,12,13,14).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea?
1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea has a molecular weight of 256.10 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).