5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine

C12H18BrFN2O — CID 146237825

IUPAC5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OC(C)CCNc1ncc(Br)cc1F
InChIInChI=1S/C12H18BrFN2O/c1-8(2)17-9(3)4-5-15-12-11(14)6-10(13)7-16-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyACWLQXPZYJMXDI-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.60
Rot. Bonds6

About 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine

5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine (PubChem CID 146237825) has the molecular formula C12H18BrFN2O and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
PubChem CID146237825
Molecular FormulaC12H18BrFN2O
Molecular Weight305.19 g/mol
Exact Mass304.06
IUPAC Name5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OC(C)CCNc1ncc(Br)cc1F
InChIInChI=1S/C12H18BrFN2O/c1-8(2)17-9(3)4-5-15-12-11(14)6-10(13)7-16-12/h6-9H,4-5H2,1-3H3,(H,15,16)
InChIKeyACWLQXPZYJMXDI-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 104924591
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104923993

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine (CID 146237825) is 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine is CC(C)OC(C)CCNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine?
The InChIKey is ACWLQXPZYJMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O/c1-8(2)17-9(3)4-5-15-12-11(14)6-10(13)7-16-12/h6-9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine?
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine has a molecular weight of 305.19 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine is sourced from PubChem (CID 146237825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).