1-(5-chloro-2-pyridinyl)-3-ethenylurea

C8H8ClN3O — CID 108909366

IUPAC1-(5-chloro-2-pyridinyl)-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H8ClN3O/c1-2-10-8(13)12-7-4-3-6(9)5-11-7/h2-5H,1H2,(H2,10,11,12,13)
InChIKeySEHBXLOPSRTMMC-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.00
Rot. Bonds2

About 1-(5-chloro-2-pyridinyl)-3-ethenylurea

1-(5-chloro-2-pyridinyl)-3-ethenylurea (PubChem CID 108909366) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-ethenylurea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-ethenylurea
PubChem CID108909366
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name1-(5-chloro-2-pyridinyl)-3-ethenylurea
SMILESC=CNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C8H8ClN3O/c1-2-10-8(13)12-7-4-3-6(9)5-11-7/h2-5H,1H2,(H2,10,11,12,13)
InChIKeySEHBXLOPSRTMMC-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
1-(5-chloro-2-pyridinyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911970
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
1-(2,4-dichlorophenyl)-3-ethenylurea
CID 108909057

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-ethenylurea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-ethenylurea (CID 108909366) is 1-(5-chloro-2-pyridinyl)-3-ethenylurea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-ethenylurea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-ethenylurea is C=CNC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-ethenylurea?
The InChIKey is SEHBXLOPSRTMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-2-10-8(13)12-7-4-3-6(9)5-11-7/h2-5H,1H2,(H2,10,11,12,13).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-ethenylurea?
1-(5-chloro-2-pyridinyl)-3-ethenylurea has a molecular weight of 197.62 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-ethenylurea is sourced from PubChem (CID 108909366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).