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

C8H2ClF6NO — CID 137346954

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H2ClF6NO/c9-4-1-3(7(10,11)12)2-16-5(4)6(17)8(13,14)15/h1-2H
InChIKeyMIWUQUGFAMSTOK-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.50
Rot. Bonds1

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone (PubChem CID 137346954) has the molecular formula C8H2ClF6NO and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
PubChem CID137346954
Molecular FormulaC8H2ClF6NO
Molecular Weight277.55 g/mol
Exact Mass276.97
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H2ClF6NO/c9-4-1-3(7(10,11)12)2-16-5(4)6(17)8(13,14)15/h1-2H
InChIKeyMIWUQUGFAMSTOK-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxybut-3-en-2-one
CID 7075350
3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 2779745
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-3-yl]-2,2,2-trifluoroethanone
CID 24959859
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
2-bromo-3-chloro-5-(trifluoromethyl)pyridine
CID 2736237
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103596180
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103596049

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone (CID 137346954) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone is O=C(c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone?
The InChIKey is MIWUQUGFAMSTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF6NO/c9-4-1-3(7(10,11)12)2-16-5(4)6(17)8(13,14)15/h1-2H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone has a molecular weight of 277.55 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 137346954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).