4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine

C12H11BrClNO — CID 114824018

IUPAC4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
SMILESCc1cc(C(Br)Cc2ccncc2Cl)co1
InChIInChI=1S/C12H11BrClNO/c1-8-4-10(7-16-8)11(13)5-9-2-3-15-6-12(9)14/h2-4,6-7,11H,5H2,1H3
InChIKeyHPABKYLGUDULBM-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.32
Rot. Bonds3

About 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine

4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine (PubChem CID 114824018) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
PubChem CID114824018
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine
SMILESCc1cc(C(Br)Cc2ccncc2Cl)co1
InChIInChI=1S/C12H11BrClNO/c1-8-4-10(7-16-8)11(13)5-9-2-3-15-6-12(9)14/h2-4,6-7,11H,5H2,1H3
InChIKeyHPABKYLGUDULBM-UHFFFAOYSA-N
XLogP4.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
4-[2-bromo-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-chloropyridine
CID 116629479
4-[2-(1-benzofuran-3-yl)-2-bromoethyl]-3-chloropyridine
CID 112656115
4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
CID 112656071
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009
4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
4-(2-bromohexyl)-3-chloropyridine
CID 112656103
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
4-(2-bromo-2-naphthalen-1-ylethyl)-3-chloropyridine
CID 115985139

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine?
The IUPAC name of 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine (CID 114824018) is 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine.
What is the SMILES notation for 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine?
The canonical SMILES for 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine is Cc1cc(C(Br)Cc2ccncc2Cl)co1.
What is the InChIKey of 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine?
The InChIKey is HPABKYLGUDULBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c1-8-4-10(7-16-8)11(13)5-9-2-3-15-6-12(9)14/h2-4,6-7,11H,5H2,1H3.
What are the key properties of 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine?
4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine has a molecular weight of 300.58 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(5-methylfuran-3-yl)ethyl]-3-chloropyridine is sourced from PubChem (CID 114824018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).