4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile

C11H12FN3 — CID 126772752

IUPAC4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(F)C2)ccn1
InChIInChI=1S/C11H12FN3/c12-9-2-1-5-15(8-9)11-3-4-14-10(6-11)7-13/h3-4,6,9H,1-2,5,8H2
InChIKeyRRZHZWPGGJRGTP-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.89
Rot. Bonds1

About 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile

4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile (PubChem CID 126772752) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
PubChem CID126772752
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(F)C2)ccn1
InChIInChI=1S/C11H12FN3/c12-9-2-1-5-15(8-9)11-3-4-14-10(6-11)7-13/h3-4,6,9H,1-2,5,8H2
InChIKeyRRZHZWPGGJRGTP-UHFFFAOYSA-N
XLogP1.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 146105794
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 128901667
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(3-fluoropiperidin-1-yl)benzonitrile
CID 105456209
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
CID 172880720
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625
4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
CID 66196783
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 62936415

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile (CID 126772752) is 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile is N#Cc1cc(N2CCCC(F)C2)ccn1.
What is the InChIKey of 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is RRZHZWPGGJRGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-9-2-1-5-15(8-9)11-3-4-14-10(6-11)7-13/h3-4,6,9H,1-2,5,8H2.
What are the key properties of 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile?
4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 126772752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).