5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine

C12H16BrFN2O — CID 104925033

IUPAC5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine
SMILESCC1(C)CC(Nc2ncc(Br)cc2F)CCO1
InChIInChI=1S/C12H16BrFN2O/c1-12(2)6-9(3-4-17-12)16-11-10(14)5-8(13)7-15-11/h5,7,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyLEAOACUDWHIPSB-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.35
Rot. Bonds2

About 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine

5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine (PubChem CID 104925033) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine
PubChem CID104925033
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine
SMILESCC1(C)CC(Nc2ncc(Br)cc2F)CCO1
InChIInChI=1S/C12H16BrFN2O/c1-12(2)6-9(3-4-17-12)16-11-10(14)5-8(13)7-15-11/h5,7,9H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyLEAOACUDWHIPSB-UHFFFAOYSA-N
XLogP3.35
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
CID 114072659
5-bromo-N-cyclobutyl-3-fluoropyridin-2-amine
CID 104924229
5-bromo-N-cyclohexyl-3-fluoropyridin-2-amine
CID 104923658
3-bromo-N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 115563804
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
CID 83027015
N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
CID 107598228
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methyl-5-nitropyridin-2-amine
CID 104508124
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 104777207
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-imidazol-2-amine
CID 106578773
2-N-(2,2-dimethyloxan-4-yl)-4-methylpyridine-2,3-diamine
CID 83027817
4-N-(2,2-dimethyloxan-4-yl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 83039166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine (CID 104925033) is 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine is CC1(C)CC(Nc2ncc(Br)cc2F)CCO1.
What is the InChIKey of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine?
The InChIKey is LEAOACUDWHIPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-12(2)6-9(3-4-17-12)16-11-10(14)5-8(13)7-15-11/h5,7,9H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine?
5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine has a molecular weight of 303.18 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 104925033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).