3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde

C10H7BrFN3O — CID 114798131

IUPAC3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2ncc(Br)cc2F)n1
InChIInChI=1S/C10H7BrFN3O/c1-15-4-6(5-16)9(14-15)10-8(12)2-7(11)3-13-10/h2-5H,1H3
InChIKeySERQYRFIOCSAII-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.20
Rot. Bonds2

About 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde

3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde (PubChem CID 114798131) has the molecular formula C10H7BrFN3O and a molecular weight of 284.09 g/mol. Its IUPAC name is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
PubChem CID114798131
Molecular FormulaC10H7BrFN3O
Molecular Weight284.09 g/mol
Exact Mass282.98
IUPAC Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(-c2ncc(Br)cc2F)n1
InChIInChI=1S/C10H7BrFN3O/c1-15-4-6(5-16)9(14-15)10-8(12)2-7(11)3-13-10/h2-5H,1H3
InChIKeySERQYRFIOCSAII-UHFFFAOYSA-N
XLogP2.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.20
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

3-(5-bromo-3-fluoro-2-pyridinyl)-1-phenylpyrazole-4-carbaldehyde
CID 114798117
3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 114798217
3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 114798072
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
1-(5-bromo-2-pyridinyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazole-4-carbaldehyde
CID 65347639
1-methyl-3-(2-methylpyrimidin-4-yl)pyrazole-4-carbaldehyde
CID 96619449
1-methyl-3-(5-methylthiophen-2-yl)pyrazole-4-carbaldehyde
CID 43141286
3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbaldehyde
CID 81471249
5-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzaldehyde
CID 66008484
1-methyl-3-(1-methylindol-2-yl)pyrazole-4-carbaldehyde
CID 82388354
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
5-bromo-2-methylindazole-7-carbaldehyde
CID 117110228

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde (CID 114798131) is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde is Cn1cc(C=O)c(-c2ncc(Br)cc2F)n1.
What is the InChIKey of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde?
The InChIKey is SERQYRFIOCSAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O/c1-15-4-6(5-16)9(14-15)10-8(12)2-7(11)3-13-10/h2-5H,1H3.
What are the key properties of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde?
3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde has a molecular weight of 284.09 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 114798131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).