2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine

C19H14ClF3N2O — CID 169250811

IUPAC2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine
SMILESCc1cc(OCc2ccccc2)cc(-c2cnc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C19H14ClF3N2O/c1-12-7-14(26-11-13-5-3-2-4-6-13)8-17(25-12)15-10-24-18(9-16(15)20)19(21,22)23/h2-10H,11H2,1H3
InChIKeyNRMUTTZSGLVPCX-UHFFFAOYSA-N
MW378.78 g/mol
LogP5.70
Rot. Bonds4

About 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine

2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine (PubChem CID 169250811) has the molecular formula C19H14ClF3N2O and a molecular weight of 378.78 g/mol. Its IUPAC name is 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine
PubChem CID169250811
Molecular FormulaC19H14ClF3N2O
Molecular Weight378.78 g/mol
Exact Mass378.07
IUPAC Name2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine
SMILESCc1cc(OCc2ccccc2)cc(-c2cnc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C19H14ClF3N2O/c1-12-7-14(26-11-13-5-3-2-4-6-13)8-17(25-12)15-10-24-18(9-16(15)20)19(21,22)23/h2-10H,11H2,1H3
InChIKeyNRMUTTZSGLVPCX-UHFFFAOYSA-N
XLogP5.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.78
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(6-methyl-4-phenylmethoxy-2-pyridinyl)-5-(trifluoromethyl)pyridine
CID 170309478
4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine
CID 8812883
3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911
1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
CID 125116513
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
CID 22641319
methyl 3-chloro-6-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 142574432
2-methyl-6-phenylmethoxyquinoline
CID 82580854
1-(2-chlorophenyl)-5-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 59632580
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1,3-bis(phenylmethoxy)-5-(2,2,2-trifluoroethyl)benzene
CID 159571173

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine?
The IUPAC name of 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine (CID 169250811) is 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine.
What is the SMILES notation for 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine?
The canonical SMILES for 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine is Cc1cc(OCc2ccccc2)cc(-c2cnc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine?
The InChIKey is NRMUTTZSGLVPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O/c1-12-7-14(26-11-13-5-3-2-4-6-13)8-17(25-12)15-10-24-18(9-16(15)20)19(21,22)23/h2-10H,11H2,1H3.
What are the key properties of 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine?
2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine has a molecular weight of 378.78 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]-6-methyl-4-phenylmethoxypyridine is sourced from PubChem (CID 169250811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).