5-(2-chloro-6-fluorophenyl)-1H-pyrazole

C9H6ClFN2 — CID 130570620

IUPAC5-(2-chloro-6-fluorophenyl)-1H-pyrazole
SMILESFc1cccc(Cl)c1-c1ccn[nH]1
InChIInChI=1S/C9H6ClFN2/c10-6-2-1-3-7(11)9(6)8-4-5-12-13-8/h1-5H,(H,12,13)
InChIKeyMODRVOAWJBCJDQ-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.87
Rot. Bonds1

About 5-(2-chloro-6-fluorophenyl)-1H-pyrazole

5-(2-chloro-6-fluorophenyl)-1H-pyrazole (PubChem CID 130570620) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1H-pyrazole
PubChem CID130570620
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name5-(2-chloro-6-fluorophenyl)-1H-pyrazole
SMILESFc1cccc(Cl)c1-c1ccn[nH]1
InChIInChI=1S/C9H6ClFN2/c10-6-2-1-3-7(11)9(6)8-4-5-12-13-8/h1-5H,(H,12,13)
InChIKeyMODRVOAWJBCJDQ-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,6-dichlorophenyl)-1H-pyrazole
CID 15766319
3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
CID 144604013
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
5-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole;sulfane
CID 159681415
3-(2,6-dichlorophenyl)-2,4-difluoropyridine
CID 133090559
3-(2-chloro-6-fluorophenyl)pyrazin-2-amine
CID 112559171
5-(2-fluoro-3-methylphenyl)-1H-pyrazole
CID 83808322
2-(2-chloro-6-fluorophenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779483
5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
CID 175129840
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
5-(4-chlorophenyl)-1H-pyrazole
CID 714291
5-[2,6-dichloro-4-(trifluoromethylsulfanyl)phenyl]-1H-pyrazole
CID 151929867

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1H-pyrazole (CID 130570620) is 5-(2-chloro-6-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1H-pyrazole is Fc1cccc(Cl)c1-c1ccn[nH]1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1H-pyrazole?
The InChIKey is MODRVOAWJBCJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-6-2-1-3-7(11)9(6)8-4-5-12-13-8/h1-5H,(H,12,13).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1H-pyrazole?
5-(2-chloro-6-fluorophenyl)-1H-pyrazole has a molecular weight of 196.61 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 130570620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).