4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine

C17H13F4N3O — CID 175992309

IUPAC4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine
SMILESCC1=C(c2ccnc(OC(F)(F)F)c2)CN(c2ccc(F)cn2)C=C1
InChIInChI=1S/C17H13F4N3O/c1-11-5-7-24(15-3-2-13(18)9-23-15)10-14(11)12-4-6-22-16(8-12)25-17(19,20)21/h2-9H,10H2,1H3
InChIKeyVXAFAKXCNDWAGS-UHFFFAOYSA-N
MW351.30 g/mol
LogP4.32
Rot. Bonds3

About 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine

4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine (PubChem CID 175992309) has the molecular formula C17H13F4N3O and a molecular weight of 351.30 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine
PubChem CID175992309
Molecular FormulaC17H13F4N3O
Molecular Weight351.30 g/mol
Exact Mass351.10
IUPAC Name4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine
SMILESCC1=C(c2ccnc(OC(F)(F)F)c2)CN(c2ccc(F)cn2)C=C1
InChIInChI=1S/C17H13F4N3O/c1-11-5-7-24(15-3-2-13(18)9-23-15)10-14(11)12-4-6-22-16(8-12)25-17(19,20)21/h2-9H,10H2,1H3
InChIKeyVXAFAKXCNDWAGS-UHFFFAOYSA-N
XLogP4.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine
CID 175992268
4-ethyl-2-(trifluoromethoxy)pyridine
CID 122546052
4-(fluoromethyl)-2-(trifluoromethoxy)pyridine
CID 118841037
5-methyl-1-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-3-amine
CID 114281023
2-(5-fluoro-2-pyridinyl)-5-methyl-4H-pyrazol-3-one
CID 176698982
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
4-methyl-6-(trifluoromethoxy)pyrimidine
CID 167503979
CID 58036486
CID 58036486
2,5-bis(trifluoromethoxy)pyrazine
CID 119084225
4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
CID 133488279
N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide
CID 67283070
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine (CID 175992309) is 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine is CC1=C(c2ccnc(OC(F)(F)F)c2)CN(c2ccc(F)cn2)C=C1.
What is the InChIKey of 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine?
The InChIKey is VXAFAKXCNDWAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O/c1-11-5-7-24(15-3-2-13(18)9-23-15)10-14(11)12-4-6-22-16(8-12)25-17(19,20)21/h2-9H,10H2,1H3.
What are the key properties of 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine?
4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine has a molecular weight of 351.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 175992309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).