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

C14H8BrFN4O — CID 114798072

IUPAC3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccn2)nc1-c1ncc(Br)cc1F
InChIInChI=1S/C14H8BrFN4O/c15-10-5-11(16)14(18-6-10)13-9(8-21)7-20(19-13)12-3-1-2-4-17-12/h1-8H
InChIKeyKMTZNGKQQUYDEH-UHFFFAOYSA-N
MW347.15 g/mol
LogP3.04
Rot. Bonds3

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

3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde (PubChem CID 114798072) has the molecular formula C14H8BrFN4O and a molecular weight of 347.15 g/mol. Its IUPAC name is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
PubChem CID114798072
Molecular FormulaC14H8BrFN4O
Molecular Weight347.15 g/mol
Exact Mass345.99
IUPAC Name3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
SMILESO=Cc1cn(-c2ccccn2)nc1-c1ncc(Br)cc1F
InChIInChI=1S/C14H8BrFN4O/c15-10-5-11(16)14(18-6-10)13-9(8-21)7-20(19-13)12-3-1-2-4-17-12/h1-8H
InChIKeyKMTZNGKQQUYDEH-UHFFFAOYSA-N
XLogP3.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 81041731
3-(5-bromo-3-fluoro-2-pyridinyl)-1-methylpyrazole-4-carbaldehyde
CID 114798131
3-(3,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 63750754
3-(5-bromofuran-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 113437642
3-(2,5-dimethylphenyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 43324089
1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
CID 65347838
1-pyridin-2-yl-3-thiophen-3-ylpyrazole-4-carbaldehyde
CID 62090121
3-(5-bromo-3-fluoro-2-pyridinyl)-1-(1-cyclopropylethyl)pyrazole-4-carbaldehyde
CID 114798217
3-(5-ethylthiophen-2-yl)-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 61333576
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
CID 65347544
1-(5-bromo-2-pyridinyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazole-4-carbaldehyde
CID 65347639

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde (CID 114798072) is 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde is O=Cc1cn(-c2ccccn2)nc1-c1ncc(Br)cc1F.
What is the InChIKey of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
The InChIKey is KMTZNGKQQUYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN4O/c15-10-5-11(16)14(18-6-10)13-9(8-21)7-20(19-13)12-3-1-2-4-17-12/h1-8H.
What are the key properties of 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde?
3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde has a molecular weight of 347.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-fluoro-2-pyridinyl)-1-pyridin-2-ylpyrazole-4-carbaldehyde is sourced from PubChem (CID 114798072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).