1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea

C13H7Cl3F3N3O — CID 2781467

IUPAC1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3F3N3O/c14-7-1-2-9(8(15)5-7)20-12(23)22-11-4-6(13(17,18)19)3-10(16)21-11/h1-5H,(H2,20,21,22,23)
InChIKeyDTWZOTDCNKCZHF-UHFFFAOYSA-N
MW384.57 g/mol
LogP5.70
Rot. Bonds2

About 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea (PubChem CID 2781467) has the molecular formula C13H7Cl3F3N3O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea
PubChem CID2781467
Molecular FormulaC13H7Cl3F3N3O
Molecular Weight384.57 g/mol
Exact Mass382.96
IUPAC Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea
SMILESO=C(Nc1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl3F3N3O/c14-7-1-2-9(8(15)5-7)20-12(23)22-11-4-6(13(17,18)19)3-10(16)21-11/h1-5H,(H2,20,21,22,23)
InChIKeyDTWZOTDCNKCZHF-UHFFFAOYSA-N
XLogP5.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 2781465
6-chloro-N-(5-chloro-2-fluorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715497
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide
CID 2781768
2-[(2,4-dichlorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791312
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
6-chloro-N-(2,6-dichlorophenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715985
(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
CID 4086863

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea (CID 2781467) is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea is O=C(Nc1cc(C(F)(F)F)cc(Cl)n1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea?
The InChIKey is DTWZOTDCNKCZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3N3O/c14-7-1-2-9(8(15)5-7)20-12(23)22-11-4-6(13(17,18)19)3-10(16)21-11/h1-5H,(H2,20,21,22,23).
What are the key properties of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea?
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea has a molecular weight of 384.57 g/mol, XLogP of 5.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 2781467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).