(2-chloro-6-cyano-4-pyridinyl) hypofluorite

C6H2ClFN2O — CID 175631106

IUPAC(2-chloro-6-cyano-4-pyridinyl) hypofluorite
SMILESN#Cc1cc(OF)cc(Cl)n1
InChIInChI=1S/C6H2ClFN2O/c7-6-2-5(11-8)1-4(3-9)10-6/h1-2H
InChIKeyJWSGHGLBKAFHNI-UHFFFAOYSA-N
MW172.55 g/mol
LogP1.87
Rot. Bonds1

About (2-chloro-6-cyano-4-pyridinyl) hypofluorite

(2-chloro-6-cyano-4-pyridinyl) hypofluorite (PubChem CID 175631106) has the molecular formula C6H2ClFN2O and a molecular weight of 172.55 g/mol. Its IUPAC name is (2-chloro-6-cyano-4-pyridinyl) hypofluorite.

Molecular Properties

Compound Name(2-chloro-6-cyano-4-pyridinyl) hypofluorite
PubChem CID175631106
Molecular FormulaC6H2ClFN2O
Molecular Weight172.55 g/mol
Exact Mass171.98
IUPAC Name(2-chloro-6-cyano-4-pyridinyl) hypofluorite
SMILESN#Cc1cc(OF)cc(Cl)n1
InChIInChI=1S/C6H2ClFN2O/c7-6-2-5(11-8)1-4(3-9)10-6/h1-2H
InChIKeyJWSGHGLBKAFHNI-UHFFFAOYSA-N
XLogP1.87
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.55
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile
CID 171850843
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
6-cyano-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 119013637
4-bromo-6-cyanopyridine-2-carbonyl chloride
CID 118806122
1-chloro-6-methoxyisoquinoline-3-carbonitrile
CID 84684201
6-chloro-4-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 176574519
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
4-chloro-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816705
1-chloro-7-fluoroisoquinoline-3-carbonitrile
CID 84674705
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130070992

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-cyano-4-pyridinyl) hypofluorite?
The IUPAC name of (2-chloro-6-cyano-4-pyridinyl) hypofluorite (CID 175631106) is (2-chloro-6-cyano-4-pyridinyl) hypofluorite.
What is the SMILES notation for (2-chloro-6-cyano-4-pyridinyl) hypofluorite?
The canonical SMILES for (2-chloro-6-cyano-4-pyridinyl) hypofluorite is N#Cc1cc(OF)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-cyano-4-pyridinyl) hypofluorite?
The InChIKey is JWSGHGLBKAFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClFN2O/c7-6-2-5(11-8)1-4(3-9)10-6/h1-2H.
What are the key properties of (2-chloro-6-cyano-4-pyridinyl) hypofluorite?
(2-chloro-6-cyano-4-pyridinyl) hypofluorite has a molecular weight of 172.55 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-cyano-4-pyridinyl) hypofluorite is sourced from PubChem (CID 175631106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).