1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride

C11H9BrClFN2O — CID 91430462

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride
SMILESO=C(Cl)C1C=CN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrClFN2O/c12-8-5-9(14)11(15-6-8)16-3-1-7(2-4-16)10(13)17/h1,3,5-7H,2,4H2
InChIKeyCMTXMDNGYSEOCQ-UHFFFAOYSA-N
MW319.56 g/mol
LogP3.09
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride

1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride (PubChem CID 91430462) has the molecular formula C11H9BrClFN2O and a molecular weight of 319.56 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride
PubChem CID91430462
Molecular FormulaC11H9BrClFN2O
Molecular Weight319.56 g/mol
Exact Mass317.96
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride
SMILESO=C(Cl)C1C=CN(c2ncc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrClFN2O/c12-8-5-9(14)11(15-6-8)16-3-1-7(2-4-16)10(13)17/h1,3,5-7H,2,4H2
InChIKeyCMTXMDNGYSEOCQ-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride (CID 91430462) is 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride is O=C(Cl)C1C=CN(c2ncc(Br)cc2F)CC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride?
The InChIKey is CMTXMDNGYSEOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN2O/c12-8-5-9(14)11(15-6-8)16-3-1-7(2-4-16)10(13)17/h1,3,5-7H,2,4H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride?
1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride has a molecular weight of 319.56 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)-3,4-dihydro-2H-pyridine-4-carbonyl chloride is sourced from PubChem (CID 91430462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).