1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde

C10H5BrClF2N3O — CID 65347510

IUPAC1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C10H5BrClF2N3O/c11-5-1-2-7(15-3-5)17-9(12)6(4-18)8(16-17)10(13)14/h1-4,10H
InChIKeySFSRZKAZUJWRHF-UHFFFAOYSA-N
MW336.52 g/mol
LogP3.43
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde

1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde (PubChem CID 65347510) has the molecular formula C10H5BrClF2N3O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde
PubChem CID65347510
Molecular FormulaC10H5BrClF2N3O
Molecular Weight336.52 g/mol
Exact Mass334.93
IUPAC Name1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde
SMILESO=Cc1c(C(F)F)nn(-c2ccc(Br)cn2)c1Cl
InChIInChI=1S/C10H5BrClF2N3O/c11-5-1-2-7(15-3-5)17-9(12)6(4-18)8(16-17)10(13)14/h1-4,10H
InChIKeySFSRZKAZUJWRHF-UHFFFAOYSA-N
XLogP3.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-pyridinyl)-5-chloro-3-propan-2-ylpyrazole-4-carbaldehyde
CID 65347603
1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 65348183
5-chloro-3-(difluoromethyl)-1-pyrimidin-4-ylpyrazole-4-carbaldehyde
CID 79822392
1-(5-bromo-2-pyridinyl)-5-chloro-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 65347557
5-chloro-1-(2,4-dichlorophenyl)-3-(difluoromethyl)pyrazole-4-carbaldehyde
CID 62879687
5-chloro-3-(difluoromethyl)-1-(7H-purin-6-yl)pyrazole-4-carbaldehyde
CID 62881906
[1-(5-bromo-2-pyridinyl)-5-chloro-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 65349562
1-(5-bromo-2-pyridinyl)-5-phenylpyrazole-4-carbaldehyde
CID 65348167
1-(5-bromo-2-pyridinyl)-3-tert-butyl-5-chloropyrazole-4-carbonitrile
CID 65349140
[1-(5-bromo-2-pyridinyl)-5-chloro-3-phenylpyrazol-4-yl]methanol
CID 65349369
5-chloro-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carbaldehyde
CID 43328191
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde (CID 65347510) is 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde is O=Cc1c(C(F)F)nn(-c2ccc(Br)cn2)c1Cl.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde?
The InChIKey is SFSRZKAZUJWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClF2N3O/c11-5-1-2-7(15-3-5)17-9(12)6(4-18)8(16-17)10(13)14/h1-4,10H.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde?
1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde has a molecular weight of 336.52 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 65347510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).