N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine

C10H15BrFN3O — CID 106308312

IUPACN-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
SMILESNCCOCCCNc1ncc(Br)cc1F
InChIInChI=1S/C10H15BrFN3O/c11-8-6-9(12)10(15-7-8)14-3-1-4-16-5-2-13/h6-7H,1-5,13H2,(H,14,15)
InChIKeyBIBWRHOCPXKNNX-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.76
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine

N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine (PubChem CID 106308312) has the molecular formula C10H15BrFN3O and a molecular weight of 292.15 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
PubChem CID106308312
Molecular FormulaC10H15BrFN3O
Molecular Weight292.15 g/mol
Exact Mass291.04
IUPAC NameN-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
SMILESNCCOCCCNc1ncc(Br)cc1F
InChIInChI=1S/C10H15BrFN3O/c11-8-6-9(12)10(15-7-8)14-3-1-4-16-5-2-13/h6-7H,1-5,13H2,(H,14,15)
InChIKeyBIBWRHOCPXKNNX-UHFFFAOYSA-N
XLogP1.76
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
N-[2-(2-aminoethoxy)ethyl]-5-bromo-3-methylpyridin-2-amine
CID 79717746
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
5-bromo-N-(3-butoxypropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796377
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-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
N-[3-(2-aminoethoxy)propyl]-5-fluoropyridin-2-amine
CID 106308279

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine (CID 106308312) is N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine is NCCOCCCNc1ncc(Br)cc1F.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine?
The InChIKey is BIBWRHOCPXKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFN3O/c11-8-6-9(12)10(15-7-8)14-3-1-4-16-5-2-13/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine?
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine has a molecular weight of 292.15 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine is sourced from PubChem (CID 106308312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).