2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine

C10H11BrFNO — CID 163394586

IUPAC2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine
SMILESCC(Br)c1cc(OC2CC2)c(F)cn1
InChIInChI=1S/C10H11BrFNO/c1-6(11)9-4-10(8(12)5-13-9)14-7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyAMUNOBQNYIVPAY-UHFFFAOYSA-N
MW260.11 g/mol
LogP3.22
Rot. Bonds3

About 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine

2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine (PubChem CID 163394586) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine.

Molecular Properties

Compound Name2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine
PubChem CID163394586
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine
SMILESCC(Br)c1cc(OC2CC2)c(F)cn1
InChIInChI=1S/C10H11BrFNO/c1-6(11)9-4-10(8(12)5-13-9)14-7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyAMUNOBQNYIVPAY-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride
CID 146457373
1-(2-cyclopropyloxy-4,5-difluorophenyl)ethanethiol
CID 167006121
2-cyclopropyloxy-5-fluoro-N-propan-2-ylpyridin-3-amine
CID 139373359
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
CID 10705693
5-cyclopropyloxy-2,3-difluoropyridine
CID 130057394
8-cyclopropyloxy-3-(difluoromethyl)-6-propan-2-ylquinoline
CID 156872882
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
4-chloro-3-[5-fluoro-4-(4-methylcyclohexyl)oxy-2-pyridinyl]-1H-pyrrolo[3,2-c]pyridine
CID 176690781
4,5-difluoro-2-propan-2-ylpyridine
CID 170611007
1-(3-cyclopentyloxy-4-fluorophenyl)ethanamine;hydrochloride
CID 155346993
(4-cyclopropyloxy-6-fluoro-3-pyridinyl)hydrazine
CID 162687283

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine?
The IUPAC name of 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine (CID 163394586) is 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine.
What is the SMILES notation for 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine?
The canonical SMILES for 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine is CC(Br)c1cc(OC2CC2)c(F)cn1.
What is the InChIKey of 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine?
The InChIKey is AMUNOBQNYIVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6(11)9-4-10(8(12)5-13-9)14-7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine?
2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine has a molecular weight of 260.11 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-4-cyclopropyloxy-5-fluoropyridine is sourced from PubChem (CID 163394586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).