3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine

C16H22BrN3O2 — CID 158462322

IUPAC3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1cncc(Br)c1.CC(C)Oc1cncc(N)c1
InChIInChI=1S/C8H10BrNO.C8H12N2O/c2*1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3;3-6H,9H2,1-2H3
InChIKeyHFIGZANDIXVBCD-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.08
Rot. Bonds4

About 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine

3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine (PubChem CID 158462322) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
PubChem CID158462322
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1cncc(Br)c1.CC(C)Oc1cncc(N)c1
InChIInChI=1S/C8H10BrNO.C8H12N2O/c2*1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3;3-6H,9H2,1-2H3
InChIKeyHFIGZANDIXVBCD-UHFFFAOYSA-N
XLogP4.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044
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sodium;5-bromopyridin-3-amine;hydroxide
CID 142881303
3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
CID 174205406
3-bromo-5-(1-ethoxypropan-2-yloxy)pyridine
CID 103488077
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CID 80921780
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
(3-bromo-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027433
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105251286
3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
CID 141396943
3-bromo-5-(1,2,2,2-tetrafluoroethoxy)pyridine
CID 175443421
5-bromopyridin-3-amine;formamide
CID 175312718

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine?
The IUPAC name of 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine (CID 158462322) is 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine is CC(C)Oc1cncc(Br)c1.CC(C)Oc1cncc(N)c1.
What is the InChIKey of 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine?
The InChIKey is HFIGZANDIXVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.C8H12N2O/c2*1-6(2)11-8-3-7(9)4-10-5-8/h3-6H,1-2H3;3-6H,9H2,1-2H3.
What are the key properties of 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine?
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine has a molecular weight of 368.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 158462322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).