1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea

C12H7ClF3N3O — CID 150183067

IUPAC1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H7ClF3N3O/c13-10-5-6(1-2-17-10)18-12(20)19-7-3-8(14)11(16)9(15)4-7/h1-5H,(H2,17,18,19,20)
InChIKeyFLVKALKKBPZTFV-UHFFFAOYSA-N
MW301.66 g/mol
LogP3.80
Rot. Bonds2

About 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea

1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea (PubChem CID 150183067) has the molecular formula C12H7ClF3N3O and a molecular weight of 301.66 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
PubChem CID150183067
Molecular FormulaC12H7ClF3N3O
Molecular Weight301.66 g/mol
Exact Mass301.02
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea
SMILESO=C(Nc1ccnc(Cl)c1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H7ClF3N3O/c13-10-5-6(1-2-17-10)18-12(20)19-7-3-8(14)11(16)9(15)4-7/h1-5H,(H2,17,18,19,20)
InChIKeyFLVKALKKBPZTFV-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.66
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
CID 14625226
3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
CID 107952988
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
1-(2-chloro-4-pyridinyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]urea
CID 152663942
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
1-(2-chloro-4-pyridinyl)-3-(1H-indazol-5-yl)urea
CID 150071160
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
CID 14625252

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea (CID 150183067) is 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea is O=C(Nc1ccnc(Cl)c1)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea?
The InChIKey is FLVKALKKBPZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N3O/c13-10-5-6(1-2-17-10)18-12(20)19-7-3-8(14)11(16)9(15)4-7/h1-5H,(H2,17,18,19,20).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea?
1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea has a molecular weight of 301.66 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-(3,4,5-trifluorophenyl)urea is sourced from PubChem (CID 150183067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).