2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine

C12H14BrNO2 — CID 139464704

IUPAC2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine
SMILESCOCc1cc(Br)nc(C2=CCOCC2)c1
InChIInChI=1S/C12H14BrNO2/c1-15-8-9-6-11(14-12(13)7-9)10-2-4-16-5-3-10/h2,6-7H,3-5,8H2,1H3
InChIKeyIMACZWHQHUYPJI-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.79
Rot. Bonds3

About 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine

2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine (PubChem CID 139464704) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine
PubChem CID139464704
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine
SMILESCOCc1cc(Br)nc(C2=CCOCC2)c1
InChIInChI=1S/C12H14BrNO2/c1-15-8-9-6-11(14-12(13)7-9)10-2-4-16-5-3-10/h2,6-7H,3-5,8H2,1H3
InChIKeyIMACZWHQHUYPJI-UHFFFAOYSA-N
XLogP2.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dibromo-4-(methoxymethyl)pyridine
CID 139464696
2-benzyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-(methoxymethoxy)pyridine
CID 18182425
2-(3,6-dihydro-2H-pyran-4-yl)-6-prop-1-en-2-ylpyridin-4-amine
CID 155682299
4-(3,6-dihydro-2H-pyran-4-yl)-3,5-dimethyl-1H-pyrazole
CID 121273540
2-(3,6-dihydro-2H-pyran-4-yl)-6-methylpyrimidine-4-carbaldehyde
CID 170328502
methyl 8-bromo-2-(3,6-dihydro-2H-pyran-4-yl)quinoxaline-6-carboxylate;methyl 8-bromo-3-(3,6-dihydro-2H-pyran-4-yl)quinoxaline-6-carboxylate
CID 158244372
2-(3,6-dihydro-2H-pyran-4-yl)-6-propan-2-ylpyridine
CID 118124536
6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)-N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 177138836
2-tert-butyl-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133390554
4-(3,6-dihydro-2H-pyran-4-yl)-6-(1H-indazol-7-yl)-1-(2-methoxyethyl)pyrrolo[3,2-c]pyridine
CID 134806011
ethane;4-(5-methylthiophen-2-yl)-3,6-dihydro-2H-pyran
CID 168899149
3-bromo-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one;3-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-7H-imidazo[1,5-a]pyrazin-8-one
CID 158988876

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine?
The IUPAC name of 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine (CID 139464704) is 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine?
The canonical SMILES for 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine is COCc1cc(Br)nc(C2=CCOCC2)c1.
What is the InChIKey of 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine?
The InChIKey is IMACZWHQHUYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-15-8-9-6-11(14-12(13)7-9)10-2-4-16-5-3-10/h2,6-7H,3-5,8H2,1H3.
What are the key properties of 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine?
2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine has a molecular weight of 284.15 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3,6-dihydro-2H-pyran-4-yl)-4-(methoxymethyl)pyridine is sourced from PubChem (CID 139464704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).