2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one

C11H9ClF5N3O — CID 156593624

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one
SMILESO=C1CC(C(F)F)NC(c2ncc(C(F)(F)F)cc2Cl)N1
InChIInChI=1S/C11H9ClF5N3O/c12-5-1-4(11(15,16)17)3-18-8(5)10-19-6(9(13)14)2-7(21)20-10/h1,3,6,9-10,19H,2H2,(H,20,21)
InChIKeyNMNWNKKOEZSRQP-UHFFFAOYSA-N
MW329.66 g/mol
LogP2.50
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one (PubChem CID 156593624) has the molecular formula C11H9ClF5N3O and a molecular weight of 329.66 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one
PubChem CID156593624
Molecular FormulaC11H9ClF5N3O
Molecular Weight329.66 g/mol
Exact Mass329.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one
SMILESO=C1CC(C(F)F)NC(c2ncc(C(F)(F)F)cc2Cl)N1
InChIInChI=1S/C11H9ClF5N3O/c12-5-1-4(11(15,16)17)3-18-8(5)10-19-6(9(13)14)2-7(21)20-10/h1,3,6,9-10,19H,2H2,(H,20,21)
InChIKeyNMNWNKKOEZSRQP-UHFFFAOYSA-N
XLogP2.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.66
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 166452050
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclobutane-1-carboxylic acid
CID 110208587
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidine-2-thione
CID 78235435
(1R,5S)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
CID 118120716
2-(azetidin-3-ylsulfanyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 62784818
(3aS,6aS)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599203
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one
CID 67953081
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclohexan-1-one
CID 168907350
N-[[4-chloro-3-[4-oxo-6-[5-(trifluoromethyl)-3-pyridinyl]-1,3-diazinan-2-yl]phenyl]methyl]-2-methylpropanamide
CID 155883416

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one (CID 156593624) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one is O=C1CC(C(F)F)NC(c2ncc(C(F)(F)F)cc2Cl)N1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one?
The InChIKey is NMNWNKKOEZSRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF5N3O/c12-5-1-4(11(15,16)17)3-18-8(5)10-19-6(9(13)14)2-7(21)20-10/h1,3,6,9-10,19H,2H2,(H,20,21).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one has a molecular weight of 329.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-(difluoromethyl)-1,3-diazinan-4-one is sourced from PubChem (CID 156593624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).