1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea

C13H12BrN3O — CID 108894670

IUPAC1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
SMILESO=C(NCc1ccc(Br)cc1)Nc1ccccn1
InChIInChI=1S/C13H12BrN3O/c14-11-6-4-10(5-7-11)9-16-13(18)17-12-3-1-2-8-15-12/h1-8H,9H2,(H2,15,16,17,18)
InChIKeyFYBXYCYMYXCJLV-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.17
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea

1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea (PubChem CID 108894670) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
PubChem CID108894670
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
SMILESO=C(NCc1ccc(Br)cc1)Nc1ccccn1
InChIInChI=1S/C13H12BrN3O/c14-11-6-4-10(5-7-11)9-16-13(18)17-12-3-1-2-8-15-12/h1-8H,9H2,(H2,15,16,17,18)
InChIKeyFYBXYCYMYXCJLV-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
CID 47237582
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
1-benzyl-3-(5-bromopyrazin-2-yl)urea
CID 107653654
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea (CID 108894670) is 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea is O=C(NCc1ccc(Br)cc1)Nc1ccccn1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea?
The InChIKey is FYBXYCYMYXCJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-11-6-4-10(5-7-11)9-16-13(18)17-12-3-1-2-8-15-12/h1-8H,9H2,(H2,15,16,17,18).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea?
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea has a molecular weight of 306.16 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 108894670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).