5-(fluoromethyl)pyridine-3-carbonitrile

C7H5FN2 — CID 174750728

IUPAC5-(fluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(CF)c1
InChIInChI=1S/C7H5FN2/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2H2
InChIKeyGYOOXGZEMPRRBO-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.42
Rot. Bonds1

About 5-(fluoromethyl)pyridine-3-carbonitrile

5-(fluoromethyl)pyridine-3-carbonitrile (PubChem CID 174750728) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 5-(fluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(fluoromethyl)pyridine-3-carbonitrile
PubChem CID174750728
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name5-(fluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(CF)c1
InChIInChI=1S/C7H5FN2/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2H2
InChIKeyGYOOXGZEMPRRBO-UHFFFAOYSA-N
XLogP1.42
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxyethyl)pyridine-3-carbonitrile
CID 167161685
5-chloropyridine-3-carbonitrile
CID 12645070
potassium (5-cyano-3-pyridinyl)-trifluoroboranuide
CID 57416942
5-(2,2-difluoroethoxy)pyridine-3-carbonitrile
CID 119054448
5-(difluoromethoxy)pyridine-3-carbonitrile
CID 46311553
(5-cyano-3-pyridinyl)-oxosulfanium
CID 174076461
5-formylpyridine-3-carbonitrile
CID 12919806
N'-amino-5-cyanopyridine-3-carboximidamide
CID 138108015
5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile
CID 114497950
6-(difluoromethyl)-5-(fluoromethyl)pyridine-3-carbonitrile
CID 130095977
5-cyanopyridine-3-sulfonamide
CID 119031917
5-cyanopyridine-3-carboxylic acid
CID 22174782

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(fluoromethyl)pyridine-3-carbonitrile (CID 174750728) is 5-(fluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(fluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(fluoromethyl)pyridine-3-carbonitrile is N#Cc1cncc(CF)c1.
What is the InChIKey of 5-(fluoromethyl)pyridine-3-carbonitrile?
The InChIKey is GYOOXGZEMPRRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2H2.
What are the key properties of 5-(fluoromethyl)pyridine-3-carbonitrile?
5-(fluoromethyl)pyridine-3-carbonitrile has a molecular weight of 136.13 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 174750728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).