1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea

C9H10ClN3O — CID 4074372

IUPAC1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H10ClN3O/c1-2-5-11-9(14)13-8-4-3-7(10)6-12-8/h2-4,6H,1,5H2,(H2,11,12,13,14)
InChIKeyFZSVPYUQWDKFLV-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.04
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea

1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea (PubChem CID 4074372) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea
PubChem CID4074372
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H10ClN3O/c1-2-5-11-9(14)13-8-4-3-7(10)6-12-8/h2-4,6H,1,5H2,(H2,11,12,13,14)
InChIKeyFZSVPYUQWDKFLV-UHFFFAOYSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Phenyl-N'-2-pyridinylurea
CID 221427
2-Pyridinamine, N-methyl-
CID 20727
2-Amino-5-chloropyridine
CID 66174
2-Acetamidopyridine
CID 72929
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
CID 786649
[{(5-Chloro-2-Pyridinyl)Amino} Methylene]-1,1-Bisphosphonate
CID 405389
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
2-Amino-3-chloropyridine
CID 693267
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea (CID 4074372) is 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea?
The InChIKey is FZSVPYUQWDKFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-2-5-11-9(14)13-8-4-3-7(10)6-12-8/h2-4,6H,1,5H2,(H2,11,12,13,14).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea?
1-(5-chloro-2-pyridinyl)-3-prop-2-enylurea has a molecular weight of 211.65 g/mol, XLogP of 2.04, 3 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-prop-2-enylurea is sourced from PubChem (CID 4074372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).