2-fluoro-1H-pyridine-2-carbonitrile

C6H5FN2 — CID 53434898

IUPAC2-fluoro-1H-pyridine-2-carbonitrile
SMILESN#CC1(F)C=CC=CN1
InChIInChI=1S/C6H5FN2/c7-6(5-8)3-1-2-4-9-6/h1-4,9H
InChIKeyDQTMAWSJLQXKRD-UHFFFAOYSA-N
MW124.12 g/mol
LogP0.85
Rot. Bonds

About 2-fluoro-1H-pyridine-2-carbonitrile

2-fluoro-1H-pyridine-2-carbonitrile (PubChem CID 53434898) has the molecular formula C6H5FN2 and a molecular weight of 124.12 g/mol. Its IUPAC name is 2-fluoro-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name2-fluoro-1H-pyridine-2-carbonitrile
PubChem CID53434898
Molecular FormulaC6H5FN2
Molecular Weight124.12 g/mol
Exact Mass124.04
IUPAC Name2-fluoro-1H-pyridine-2-carbonitrile
SMILESN#CC1(F)C=CC=CN1
InChIInChI=1S/C6H5FN2/c7-6(5-8)3-1-2-4-9-6/h1-4,9H
InChIKeyDQTMAWSJLQXKRD-UHFFFAOYSA-N
XLogP0.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1H-pyridine-2-carbonitrile?
The IUPAC name of 2-fluoro-1H-pyridine-2-carbonitrile (CID 53434898) is 2-fluoro-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 2-fluoro-1H-pyridine-2-carbonitrile?
The canonical SMILES for 2-fluoro-1H-pyridine-2-carbonitrile is N#CC1(F)C=CC=CN1.
What is the InChIKey of 2-fluoro-1H-pyridine-2-carbonitrile?
The InChIKey is DQTMAWSJLQXKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2/c7-6(5-8)3-1-2-4-9-6/h1-4,9H.
What are the key properties of 2-fluoro-1H-pyridine-2-carbonitrile?
2-fluoro-1H-pyridine-2-carbonitrile has a molecular weight of 124.12 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 53434898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).