4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile

C15H10FN3 — CID 63882015

IUPAC4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2ccc3cc(F)ccc32)ccn1
InChIInChI=1S/C15H10FN3/c16-13-1-2-15-12(8-13)4-6-19(15)10-11-3-5-18-14(7-11)9-17/h1-8H,10H2
InChIKeySIYKQTIGYPISPR-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.10
Rot. Bonds2

About 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile

4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63882015) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63882015
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2ccc3cc(F)ccc32)ccn1
InChIInChI=1S/C15H10FN3/c16-13-1-2-15-12(8-13)4-6-19(15)10-11-3-5-18-14(7-11)9-17/h1-8H,10H2
InChIKeySIYKQTIGYPISPR-UHFFFAOYSA-N
XLogP3.10
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 116619511
4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881946
1-[(2-cyano-4-pyridinyl)methyl]indole-5-carboxylic acid
CID 63881963
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-[(3-amino-5-fluorophenyl)methyl]indole-5-carbonitrile
CID 107919689
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881824
2-bromo-5-[(5-fluoroindol-1-yl)methyl]aniline
CID 115557370
4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
CID 66409699
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzonitrile
CID 102670377
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile (CID 63882015) is 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1cc(Cn2ccc3cc(F)ccc32)ccn1.
What is the InChIKey of 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is SIYKQTIGYPISPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c16-13-1-2-15-12(8-13)4-6-19(15)10-11-3-5-18-14(7-11)9-17/h1-8H,10H2.
What are the key properties of 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile?
4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).