5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde

C13H9BrF2N2O — CID 123740813

IUPAC5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cnc(CCc2cncc(F)c2)c1F
InChIInChI=1S/C13H9BrF2N2O/c14-11-6-18-12(13(16)10(11)7-19)2-1-8-3-9(15)5-17-4-8/h3-7H,1-2H2
InChIKeyOGMGYSFKOKCELT-UHFFFAOYSA-N
MW327.13 g/mol
LogP3.12
Rot. Bonds4

About 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde

5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde (PubChem CID 123740813) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde
PubChem CID123740813
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde
SMILESO=Cc1c(Br)cnc(CCc2cncc(F)c2)c1F
InChIInChI=1S/C13H9BrF2N2O/c14-11-6-18-12(13(16)10(11)7-19)2-1-8-3-9(15)5-17-4-8/h3-7H,1-2H2
InChIKeyOGMGYSFKOKCELT-UHFFFAOYSA-N
XLogP3.12
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-bromophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 13606099
2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
2,2'-Bipyridine-4-carboxaldehyde
CID 10171298
(2,4'-Bipyridine)-3-carbaldehyde
CID 46316046
1-(4-Bromophenyl)-2-(pyridin-2-yl)ethan-1-one
CID 22719885
2-(5-Bromopyridin-2-yl)-1-(2,4-difluorophenyl)-2,2-difluoroethanone
CID 10545637
2-(4-Methylpyridin-2-yl)pyridine-4-carbaldehyde
CID 11193972
5-Bromo-3-methylpyridine-2-carbaldehyde
CID 12109864
5-Bromo-2-methyl-4-pyridinecarboxaldehyde
CID 21043931
4-(3-(Trifluoromethyl)pyridin-2-yl)benzaldehyde
CID 25918929
5-Bromo-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 71303670
3-Bromo-5-methylpyridine-2-carbaldehyde
CID 74888949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde?
The IUPAC name of 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde (CID 123740813) is 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde?
The canonical SMILES for 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde is O=Cc1c(Br)cnc(CCc2cncc(F)c2)c1F.
What is the InChIKey of 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde?
The InChIKey is OGMGYSFKOKCELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-11-6-18-12(13(16)10(11)7-19)2-1-8-3-9(15)5-17-4-8/h3-7H,1-2H2.
What are the key properties of 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde?
5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde has a molecular weight of 327.13 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-[2-(5-fluoro-3-pyridinyl)ethyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 123740813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).