4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine

C14H10F3N3O — CID 148817328

IUPAC4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine
SMILESCOc1nccc2c1C(c1ccnc(C(F)(F)F)c1)=NC2
InChIInChI=1S/C14H10F3N3O/c1-21-13-11-9(3-5-19-13)7-20-12(11)8-2-4-18-10(6-8)14(15,16)17/h2-6H,7H2,1H3
InChIKeyORCCBBJZCCMSSB-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.86
Rot. Bonds2

About 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine

4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine (PubChem CID 148817328) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine
PubChem CID148817328
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine
SMILESCOc1nccc2c1C(c1ccnc(C(F)(F)F)c1)=NC2
InChIInChI=1S/C14H10F3N3O/c1-21-13-11-9(3-5-19-13)7-20-12(11)8-2-4-18-10(6-8)14(15,16)17/h2-6H,7H2,1H3
InChIKeyORCCBBJZCCMSSB-UHFFFAOYSA-N
XLogP2.86
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
CID 159386061
4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
N-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]aniline
CID 151559909
morpholin-4-yl-[4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]methanone
CID 147405639
N-methyl-1-propan-2-yl-4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)pyrrole-2-carboxamide
CID 159518848
4-(2-methoxy-4-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-isoindole
CID 161055825
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 177049801
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
1-[(2,2-difluorocyclopropyl)methyl]-5-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzimidazole
CID 158819881
4,6-dimethoxy-N-[4-(trifluoromethyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 122588969
2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141
4-cyclopropyl-2-(trifluoromethyl)pyridine
CID 143990430

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine (CID 148817328) is 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine is COc1nccc2c1C(c1ccnc(C(F)(F)F)c1)=NC2.
What is the InChIKey of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is ORCCBBJZCCMSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-21-13-11-9(3-5-19-13)7-20-12(11)8-2-4-18-10(6-8)14(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine?
4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 293.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(trifluoromethyl)-4-pyridinyl]-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 148817328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).