2-chloro-6-fluoroquinoline-8-carbonitrile

C10H4ClFN2 — CID 154728078

IUPAC2-chloro-6-fluoroquinoline-8-carbonitrile
SMILESN#Cc1cc(F)cc2ccc(Cl)nc12
InChIInChI=1S/C10H4ClFN2/c11-9-2-1-6-3-8(12)4-7(5-13)10(6)14-9/h1-4H
InChIKeyGZEPHUXGOVGTAM-UHFFFAOYSA-N
MW206.61 g/mol
LogP2.90
Rot. Bonds

About 2-chloro-6-fluoroquinoline-8-carbonitrile

2-chloro-6-fluoroquinoline-8-carbonitrile (PubChem CID 154728078) has the molecular formula C10H4ClFN2 and a molecular weight of 206.61 g/mol. Its IUPAC name is 2-chloro-6-fluoroquinoline-8-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-fluoroquinoline-8-carbonitrile
PubChem CID154728078
Molecular FormulaC10H4ClFN2
Molecular Weight206.61 g/mol
Exact Mass206.00
IUPAC Name2-chloro-6-fluoroquinoline-8-carbonitrile
SMILESN#Cc1cc(F)cc2ccc(Cl)nc12
InChIInChI=1S/C10H4ClFN2/c11-9-2-1-6-3-8(12)4-7(5-13)10(6)14-9/h1-4H
InChIKeyGZEPHUXGOVGTAM-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.61
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-nitro-2-pyridinyl)amino]-5-fluorobenzonitrile
CID 82015863
5-fluoro-2-methyl-1H-indole-7-carbonitrile
CID 130063688
3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002
6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
CID 178072823
6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 131849320
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
CID 130775319
2,3,5-trifluorobenzonitrile
CID 2776998
7-bromo-2-chloroquinoline-5-carbonitrile
CID 165134565
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
2-chloro-9-(difluoromethyl)-1,10-phenanthroline
CID 146169798
3-chloro-2,6-difluoropyridine-4-carbonitrile
CID 133081070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoroquinoline-8-carbonitrile?
The IUPAC name of 2-chloro-6-fluoroquinoline-8-carbonitrile (CID 154728078) is 2-chloro-6-fluoroquinoline-8-carbonitrile.
What is the SMILES notation for 2-chloro-6-fluoroquinoline-8-carbonitrile?
The canonical SMILES for 2-chloro-6-fluoroquinoline-8-carbonitrile is N#Cc1cc(F)cc2ccc(Cl)nc12.
What is the InChIKey of 2-chloro-6-fluoroquinoline-8-carbonitrile?
The InChIKey is GZEPHUXGOVGTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClFN2/c11-9-2-1-6-3-8(12)4-7(5-13)10(6)14-9/h1-4H.
What are the key properties of 2-chloro-6-fluoroquinoline-8-carbonitrile?
2-chloro-6-fluoroquinoline-8-carbonitrile has a molecular weight of 206.61 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoroquinoline-8-carbonitrile is sourced from PubChem (CID 154728078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).