5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile

C17H12ClF4N3O — CID 121377552

IUPAC5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CC(F)(F)c3c(C(O)C(F)F)cccc32)c(Cl)cn1
InChIInChI=1S/C17H12ClF4N3O/c18-12-6-24-10(5-23)4-9(12)7-25-8-17(21,22)14-11(15(26)16(19)20)2-1-3-13(14)25/h1-4,6,15-16,26H,7-8H2
InChIKeyFFVGGUVRBZEXNR-UHFFFAOYSA-N
MW385.75 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile

5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 121377552) has the molecular formula C17H12ClF4N3O and a molecular weight of 385.75 g/mol. Its IUPAC name is 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID121377552
Molecular FormulaC17H12ClF4N3O
Molecular Weight385.75 g/mol
Exact Mass385.06
IUPAC Name5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2CC(F)(F)c3c(C(O)C(F)F)cccc32)c(Cl)cn1
InChIInChI=1S/C17H12ClF4N3O/c18-12-6-24-10(5-23)4-9(12)7-25-8-17(21,22)14-11(15(26)16(19)20)2-1-3-13(14)25/h1-4,6,15-16,26H,7-8H2
InChIKeyFFVGGUVRBZEXNR-UHFFFAOYSA-N
XLogP4.02
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.75
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

US20250042853, Example 41
CID 168252498
US20250042853, Example 107
CID 168252503
US20250042853, Example 46
CID 168252509
US20250042853, Example 49
CID 168252522
2-Chloro-3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012062
3-(2-Chloropyridin-3-yl)-8-hydroxy-2-(trifluoromethyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 22012106
1-[(5-Chloropyridin-3-yl)methyl]-3,3-difluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)indol-2-one
CID 117837061
1-[(6-chloropyridin-3-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361823
1-[(3,5-dichloropyridin-2-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361827
1-[[5-chloro-4-(trifluoromethyl)pyridin-2-yl]methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]indol-2-one
CID 121361835
1-[(2-chloropyridin-4-yl)methyl]-3,3-difluoro-4-[(1S)-1-hydroxyethyl]-1,3-dihydro-2H-indol-2-one
CID 121361838
4-[[3,3-difluoro-4-[(1S)-1-hydroxyethyl]-2-oxoindol-1-yl]methyl]pyridine-2-carbonitrile
CID 121361853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile (CID 121377552) is 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1cc(CN2CC(F)(F)c3c(C(O)C(F)F)cccc32)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is FFVGGUVRBZEXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF4N3O/c18-12-6-24-10(5-23)4-9(12)7-25-8-17(21,22)14-11(15(26)16(19)20)2-1-3-13(14)25/h1-4,6,15-16,26H,7-8H2.
What are the key properties of 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile?
5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 385.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(2,2-difluoro-1-hydroxyethyl)-3,3-difluoro-2H-indol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 121377552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).