(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone

C13H7ClFN3O — CID 87224437

IUPAC(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1nc(Cl)n2cccc2n1
InChIInChI=1S/C13H7ClFN3O/c14-13-17-12(16-10-5-2-6-18(10)13)11(19)8-3-1-4-9(15)7-8/h1-7H
InChIKeyWJQMHMISPQSVCD-UHFFFAOYSA-N
MW275.67 g/mol
LogP2.75
Rot. Bonds2

About (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone

(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone (PubChem CID 87224437) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone
PubChem CID87224437
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1nc(Cl)n2cccc2n1
InChIInChI=1S/C13H7ClFN3O/c14-13-17-12(16-10-5-2-6-18(10)13)11(19)8-3-1-4-9(15)7-8/h1-7H
InChIKeyWJQMHMISPQSVCD-UHFFFAOYSA-N
XLogP2.75
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one
CID 56965295
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(3-fluorophenyl)-(2-methyltetrazol-5-yl)methanone
CID 130758203
[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
CID 87075128
(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
CID 66985005
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
(2,4-difluorophenyl)-[4-(1H-pyrazol-5-ylamino)pyrrolo[1,2-a][1,3,5]triazin-2-yl]methanone
CID 66984745
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-fluorobenzoate
CID 18199866
2-amino-2-chloro-1-(3-fluorophenyl)ethanone
CID 19068512
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750

Frequently Asked Questions

What is the IUPAC name of (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone (CID 87224437) is (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)c1nc(Cl)n2cccc2n1.
What is the InChIKey of (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone?
The InChIKey is WJQMHMISPQSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-13-17-12(16-10-5-2-6-18(10)13)11(19)8-3-1-4-9(15)7-8/h1-7H.
What are the key properties of (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone?
(4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone has a molecular weight of 275.67 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrrolo[1,2-a][1,3,5]triazin-2-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 87224437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).