5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine

C12H18BrFN2O — CID 104925322

IUPAC5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1ncc(Br)cc1F
InChIInChI=1S/C12H18BrFN2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyBRNFWVYRMQZLRG-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.60
Rot. Bonds7

About 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine

5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (PubChem CID 104925322) has the molecular formula C12H18BrFN2O and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
PubChem CID104925322
Molecular FormulaC12H18BrFN2O
Molecular Weight305.19 g/mol
Exact Mass304.06
IUPAC Name5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
SMILESCC(C)OCCCCNc1ncc(Br)cc1F
InChIInChI=1S/C12H18BrFN2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyBRNFWVYRMQZLRG-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013715
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
5-fluoro-2-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003891
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
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
N-[1-(4-bromo-2-fluorophenyl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102613420

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine (CID 104925322) is 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine is CC(C)OCCCCNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
The InChIKey is BRNFWVYRMQZLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O/c1-9(2)17-6-4-3-5-15-12-11(14)7-10(13)8-16-12/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine?
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine has a molecular weight of 305.19 g/mol, XLogP of 3.60, 7 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-(4-propan-2-yloxybutyl)pyridin-2-amine is sourced from PubChem (CID 104925322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).