3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine

C14H8ClF6NO — CID 142577160

IUPAC3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
SMILESCc1cc(OC(F)(F)F)cc(-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H8ClF6NO/c1-7-2-8(4-10(3-7)23-14(19,20)21)12-11(15)5-9(6-22-12)13(16,17)18/h2-6H,1H3
InChIKeyZMMMHPUZGLAUOU-UHFFFAOYSA-N
MW355.67 g/mol
LogP5.63
Rot. Bonds2

About 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 142577160) has the molecular formula C14H8ClF6NO and a molecular weight of 355.67 g/mol. Its IUPAC name is 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID142577160
Molecular FormulaC14H8ClF6NO
Molecular Weight355.67 g/mol
Exact Mass355.02
IUPAC Name3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
SMILESCc1cc(OC(F)(F)F)cc(-c2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H8ClF6NO/c1-7-2-8(4-10(3-7)23-14(19,20)21)12-11(15)5-9(6-22-12)13(16,17)18/h2-6H,1H3
InChIKeyZMMMHPUZGLAUOU-UHFFFAOYSA-N
XLogP5.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.67
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
CID 169072353
ethyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486610
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
3-amino-2,6-dichloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenol
CID 151157271
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methyl-2-oxopyridine-3-carbonitrile
CID 103595987
methyl 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxylate
CID 1486860
methyl 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134633979
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline
CID 56633200
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine (CID 142577160) is 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine is Cc1cc(OC(F)(F)F)cc(-c2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is ZMMMHPUZGLAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6NO/c1-7-2-8(4-10(3-7)23-14(19,20)21)12-11(15)5-9(6-22-12)13(16,17)18/h2-6H,1H3.
What are the key properties of 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 355.67 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-methyl-5-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 142577160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).