4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine

C19H15F3N2O — CID 175581577

IUPAC4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine
SMILESCc1c(-c2cccnc2)cnc(C(F)(F)F)c1OCc1ccccc1
InChIInChI=1S/C19H15F3N2O/c1-13-16(15-8-5-9-23-10-15)11-24-18(19(20,21)22)17(13)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3
InChIKeyLADANQQHUKYOBI-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.05
Rot. Bonds4

About 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine

4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine (PubChem CID 175581577) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine
PubChem CID175581577
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine
SMILESCc1c(-c2cccnc2)cnc(C(F)(F)F)c1OCc1ccccc1
InChIInChI=1S/C19H15F3N2O/c1-13-16(15-8-5-9-23-10-15)11-24-18(19(20,21)22)17(13)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3
InChIKeyLADANQQHUKYOBI-UHFFFAOYSA-N
XLogP5.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-methyl-1-[(3-phenylmethoxyphenyl)methyl]-2-pyridin-3-ylindole;hydrochloride
CID 44554306
4-methyl-5-pyridin-3-ylpyridin-3-ol
CID 175581528
7-phenylmethoxy-4-pyridin-3-ylquinazoline
CID 69163736
4-methoxy-6-phenylmethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173674
5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 137183302
3-(1,1-difluoroethoxymethyl)pyridine
CID 90124962
3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
CID 58373859
benzyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23878226
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine (CID 175581577) is 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine is Cc1c(-c2cccnc2)cnc(C(F)(F)F)c1OCc1ccccc1.
What is the InChIKey of 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine?
The InChIKey is LADANQQHUKYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-13-16(15-8-5-9-23-10-15)11-24-18(19(20,21)22)17(13)25-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3.
What are the key properties of 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine?
4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine has a molecular weight of 344.34 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 175581577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).