1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone

C15H6ClF6N3O — CID 24959859

IUPAC1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1nn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C15H6ClF6N3O/c16-9-5-7(14(17,18)19)6-23-13(9)25-10-4-2-1-3-8(10)11(24-25)12(26)15(20,21)22/h1-6H
InChIKeyWDNMSYJULUUYME-UHFFFAOYSA-N
MW393.67 g/mol
LogP4.84
Rot. Bonds2

About 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone

1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 24959859) has the molecular formula C15H6ClF6N3O and a molecular weight of 393.67 g/mol. Its IUPAC name is 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
PubChem CID24959859
Molecular FormulaC15H6ClF6N3O
Molecular Weight393.67 g/mol
Exact Mass393.01
IUPAC Name1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1nn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)C(F)(F)F
InChIInChI=1S/C15H6ClF6N3O/c16-9-5-7(14(17,18)19)6-23-13(9)25-10-4-2-1-3-8(10)11(24-25)12(26)15(20,21)22/h1-6H
InChIKeyWDNMSYJULUUYME-UHFFFAOYSA-N
XLogP4.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]-2-oxoacetamide
CID 3270209
(NE)-N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]methylidene]hydroxylamine
CID 20850729
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 4256021
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 43168599
1-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 87442017
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-yl] hydrogen carbonate
CID 139617802
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
CID 69085891
3-chloro-2-[5-methylsulfonyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 103596081
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 3708437

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone (CID 24959859) is 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone is O=C(c1nn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is WDNMSYJULUUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N3O/c16-9-5-7(14(17,18)19)6-23-13(9)25-10-4-2-1-3-8(10)11(24-25)12(26)15(20,21)22/h1-6H.
What are the key properties of 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone?
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 393.67 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 24959859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).