1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

C14H15F2N3 — CID 170765100

IUPAC1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1)CCN2C1CCC(F)(F)CC1
InChIInChI=1S/C14H15F2N3/c15-14(16)4-1-12(2-5-14)19-6-3-11-7-10(8-17)9-18-13(11)19/h7,9,12H,1-6H2
InChIKeyPBPAXHZCKFHDFV-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.89
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 170765100) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID170765100
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1)CCN2C1CCC(F)(F)CC1
InChIInChI=1S/C14H15F2N3/c15-14(16)4-1-12(2-5-14)19-6-3-11-7-10(8-17)9-18-13(11)19/h7,9,12H,1-6H2
InChIKeyPBPAXHZCKFHDFV-UHFFFAOYSA-N
XLogP2.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
CID 167172974
(6aR)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
CID 167172987
1,3-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-5-carbonitrile
CID 170925735
9-thia-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-12-carbonitrile
CID 146412963
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 176693130
8,8-dioxo-8λ6-thia-1,3,9-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carbonitrile
CID 146372302
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
CID 174274469
6-amino-5-cyclopropylpyridine-3-carbonitrile
CID 130050388
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
CID 103468915
6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 165434752

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (CID 170765100) is 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2c(c1)CCN2C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PBPAXHZCKFHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-14(16)4-1-12(2-5-14)19-6-3-11-7-10(8-17)9-18-13(11)19/h7,9,12H,1-6H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 263.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170765100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).