2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol

C15H12F3N3O — CID 102087033

IUPAC2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=Nc2cccnc2N1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)14(22)9-12(10-5-2-1-3-6-10)20-11-7-4-8-19-13(11)21-14/h1-8,22H,9H2,(H,19,21)
InChIKeyKYVKZXZSRZQSIS-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.27
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol

2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol (PubChem CID 102087033) has the molecular formula C15H12F3N3O and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol
PubChem CID102087033
Molecular FormulaC15H12F3N3O
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC Name2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol
SMILESOC1(C(F)(F)F)CC(c2ccccc2)=Nc2cccnc2N1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)14(22)9-12(10-5-2-1-3-6-10)20-11-7-4-8-19-13(11)21-14/h1-8,22H,9H2,(H,19,21)
InChIKeyKYVKZXZSRZQSIS-UHFFFAOYSA-N
XLogP3.27
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol
CID 102087034
4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline
CID 90978390
(2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
CID 102089657
10-chloro-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
CID 135626369
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 6934344
10-methyl-6-phenyl-11H-pyrido[2,3-b][1,4]benzodiazepine
CID 135666732
2-phenyl-4-(trifluoromethyl)-3H-1,5-benzodiazepine
CID 690692
3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 2743007
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-phenyl-3H-1,5-benzodiazepine
CID 15352261
2-phenyl-4-(trichloromethyl)-3H-1,5-benzodiazepine
CID 139206499
3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155414238
3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155414487

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol (CID 102087033) is 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol is OC1(C(F)(F)F)CC(c2ccccc2)=Nc2cccnc2N1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol?
The InChIKey is KYVKZXZSRZQSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)14(22)9-12(10-5-2-1-3-6-10)20-11-7-4-8-19-13(11)21-14/h1-8,22H,9H2,(H,19,21).
What are the key properties of 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol?
2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol has a molecular weight of 307.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-ol is sourced from PubChem (CID 102087033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).