4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine

C9H5ClF2N4O2 — CID 66020564

IUPAC4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine
SMILESO=[N+]([O-])c1c(C(F)F)nn(-c2ccncc2)c1Cl
InChIInChI=1S/C9H5ClF2N4O2/c10-8-7(16(17)18)6(9(11)12)14-15(8)5-1-3-13-4-2-5/h1-4,9H
InChIKeyOJRUTWOUGRRTRK-UHFFFAOYSA-N
MW274.61 g/mol
LogP2.77
Rot. Bonds3

About 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine

4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine (PubChem CID 66020564) has the molecular formula C9H5ClF2N4O2 and a molecular weight of 274.61 g/mol. Its IUPAC name is 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine
PubChem CID66020564
Molecular FormulaC9H5ClF2N4O2
Molecular Weight274.61 g/mol
Exact Mass274.01
IUPAC Name4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine
SMILESO=[N+]([O-])c1c(C(F)F)nn(-c2ccncc2)c1Cl
InChIInChI=1S/C9H5ClF2N4O2/c10-8-7(16(17)18)6(9(11)12)14-15(8)5-1-3-13-4-2-5/h1-4,9H
InChIKeyOJRUTWOUGRRTRK-UHFFFAOYSA-N
XLogP2.77
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.61
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine
CID 66022997
5-chloro-1-cyclopentyl-3-(difluoromethyl)-4-nitropyrazole
CID 66020779
5-chloro-1-[(3-chlorophenyl)methyl]-3-(difluoromethyl)-4-nitropyrazole
CID 66015100
5-chloro-1-cyclohexyl-3-(difluoromethyl)-4-nitropyrazole
CID 66022228
5-chloro-1-(2,4-dichlorophenyl)-4-nitro-3-propan-2-ylpyrazole
CID 66020734
5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazole-4-carbaldehyde
CID 79822392
5-chloro-1-(4-nitrophenyl)-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43145564
4-(5-chloro-4-nitro-3-propan-2-ylpyrazol-1-yl)-2,6-dimethylpyrimidine
CID 79822764
5-chloro-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130073070
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 130072355
3-(dichloromethyl)-N,N-dimethyl-4-nitro-1-phenylpyrazol-5-amine
CID 2948397
1-(3-bromophenyl)-5-chloro-3-methyl-4-nitropyrazole
CID 66021174

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine?
The IUPAC name of 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine (CID 66020564) is 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine?
The canonical SMILES for 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine is O=[N+]([O-])c1c(C(F)F)nn(-c2ccncc2)c1Cl.
What is the InChIKey of 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine?
The InChIKey is OJRUTWOUGRRTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N4O2/c10-8-7(16(17)18)6(9(11)12)14-15(8)5-1-3-13-4-2-5/h1-4,9H.
What are the key properties of 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine?
4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine has a molecular weight of 274.61 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3-(difluoromethyl)-4-nitropyrazol-1-yl]pyridine is sourced from PubChem (CID 66020564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).