3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane

C13H21BrFN — CID 142522540

IUPAC3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane
SMILESCC.CC(C)c1cc(F)nc(C(C)C)c1Br
InChIInChI=1S/C11H15BrFN.C2H6/c1-6(2)8-5-9(13)14-11(7(3)4)10(8)12;1-2/h5-7H,1-4H3;1-2H3
InChIKeySEJDZFUCQRCDHD-UHFFFAOYSA-N
MW290.22 g/mol
LogP5.26
Rot. Bonds2

About 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane

3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane (PubChem CID 142522540) has the molecular formula C13H21BrFN and a molecular weight of 290.22 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane.

Molecular Properties

Compound Name3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane
PubChem CID142522540
Molecular FormulaC13H21BrFN
Molecular Weight290.22 g/mol
Exact Mass289.08
IUPAC Name3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane
SMILESCC.CC(C)c1cc(F)nc(C(C)C)c1Br
InChIInChI=1S/C11H15BrFN.C2H6/c1-6(2)8-5-9(13)14-11(7(3)4)10(8)12;1-2/h5-7H,1-4H3;1-2H3
InChIKeySEJDZFUCQRCDHD-UHFFFAOYSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.22
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trifluoro-4-propan-2-ylpyridine
CID 155383026
3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
5-fluoro-3,6-di(propan-2-yl)pyridin-2-amine
CID 164837315
5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66299309
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
2-bromo-6-fluoro-4-methyl-3-propan-2-ylpyridine
CID 153298254
4-bromo-3-fluoro-2-methyl-5-propan-2-ylpyridine;4-bromo-3-fluoro-6-methyl-2-propan-2-ylpyridine
CID 167707732
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 81277953
1,2,3,4-tetrabromo-5-propan-2-ylbenzene
CID 22164504
2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
CID 86057486
ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144749638

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane?
The IUPAC name of 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane (CID 142522540) is 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane.
What is the SMILES notation for 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane?
The canonical SMILES for 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane is CC.CC(C)c1cc(F)nc(C(C)C)c1Br.
What is the InChIKey of 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane?
The InChIKey is SEJDZFUCQRCDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN.C2H6/c1-6(2)8-5-9(13)14-11(7(3)4)10(8)12;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane?
3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane has a molecular weight of 290.22 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane is sourced from PubChem (CID 142522540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).