1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea

C9H9Cl2N3O — CID 3866775

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H9Cl2N3O/c1-2-3-12-9(15)13-6-4-7(10)14-8(11)5-6/h2,4-5H,1,3H2,(H2,12,13,14,15)
InChIKeyRFKQXYDZCJUONJ-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea

1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea (PubChem CID 3866775) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
PubChem CID3866775
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H9Cl2N3O/c1-2-3-12-9(15)13-6-4-7(10)14-8(11)5-6/h2,4-5H,1,3H2,(H2,12,13,14,15)
InChIKeyRFKQXYDZCJUONJ-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
5-(prop-2-enylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61193523
1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea
CID 3334916
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(3-bromo-5-methylphenyl)-3-prop-2-enylurea
CID 84527152
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
CID 2781839
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
1-[(6-bromocyclohexa-2,4-dien-1-yl)methyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 143498251
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide
CID 6265792
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea (CID 3866775) is 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea?
The InChIKey is RFKQXYDZCJUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c1-2-3-12-9(15)13-6-4-7(10)14-8(11)5-6/h2,4-5H,1,3H2,(H2,12,13,14,15).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea?
1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea has a molecular weight of 246.10 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea is sourced from PubChem (CID 3866775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).