[2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol

C17H16F3N3O — CID 162608845

IUPAC[2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc3ccn(CCCC(F)(F)F)c3cn2)c1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)4-1-6-23-7-3-13-9-15(22-10-16(13)23)14-8-12(11-24)2-5-21-14/h2-3,5,7-10,24H,1,4,6,11H2
InChIKeyTXIVUMCPFLWZNK-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.93
Rot. Bonds5

About [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol

[2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol (PubChem CID 162608845) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol
PubChem CID162608845
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name[2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol
SMILESOCc1ccnc(-c2cc3ccn(CCCC(F)(F)F)c3cn2)c1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)4-1-6-23-7-3-13-9-15(22-10-16(13)23)14-8-12(11-24)2-5-21-14/h2-3,5,7-10,24H,1,4,6,11H2
InChIKeyTXIVUMCPFLWZNK-UHFFFAOYSA-N
XLogP3.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol (CID 162608845) is [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol is OCc1ccnc(-c2cc3ccn(CCCC(F)(F)F)c3cn2)c1.
What is the InChIKey of [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol?
The InChIKey is TXIVUMCPFLWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)4-1-6-23-7-3-13-9-15(22-10-16(13)23)14-8-12(11-24)2-5-21-14/h2-3,5,7-10,24H,1,4,6,11H2.
What are the key properties of [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol?
[2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol has a molecular weight of 335.33 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-c]pyridin-5-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 162608845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).