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

C10H11ClF3N3O — CID 71628683

IUPAC1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O/c1-16(2)9(18)17(3)8-5-6(10(12,13)14)4-7(11)15-8/h4-5H,1-3H3
InChIKeyJCAYSNLYLAYZIE-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.87
Rot. Bonds1

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

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea (PubChem CID 71628683) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea
PubChem CID71628683
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H11ClF3N3O/c1-16(2)9(18)17(3)8-5-6(10(12,13)14)4-7(11)15-8/h4-5H,1-3H3
InChIKeyJCAYSNLYLAYZIE-UHFFFAOYSA-N
XLogP2.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2(1H)-pyrimidinone
CID 1475958
1-(6-Chloro-4-methyl-2-pyridinyl)-1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethylurea;hydrochloride
CID 12857654
6-Chloro-4-(trifluoromethyl)pyridin-2-amine
CID 13986817
7-Chloro-1-[2-(dimethylamino)ethyl]-5-methyl-1,8-naphthyridin-2-one
CID 90654325
1-[6-Chloro-3-(2,3,3,3-tetrafluoropropyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 135044768
1-Acetyl-4-methyl-6-chloro-7-azaindoline
CID 1205531
N-(4-chlorophenyl)-N'-[6-chloro-4-(trifluoromethyl)-2-pyridyl]urea
CID 2780213
N-(3-chlorophenyl)-N'-[6-chloro-4-(trifluoromethyl)-2-pyridyl]urea
CID 2781458
N-[6-chloro-4-(trifluoromethyl)-2-pyridyl]-N'-(4-methylphenyl)urea
CID 2781462
N'-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 3811772
N-Methyl-3-(trifluoromethyl)-6-chloro-2-pyridinamine
CID 11074677
2-Chloro-6-[methyl(propyl)amino]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11161739

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea (CID 71628683) is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea?
The InChIKey is JCAYSNLYLAYZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c1-16(2)9(18)17(3)8-5-6(10(12,13)14)4-7(11)15-8/h4-5H,1-3H3.
What are the key properties of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea?
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea has a molecular weight of 281.67 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3,3-trimethylurea is sourced from PubChem (CID 71628683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).