5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine

C10H14BrFN2O — CID 104923688

IUPAC5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
SMILESCCOCCCNc1ncc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O/c1-2-15-5-3-4-13-10-9(12)6-8(11)7-14-10/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeySQKSZGQXKOIEQO-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.82
Rot. Bonds6

About 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine

5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine (PubChem CID 104923688) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
PubChem CID104923688
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
SMILESCCOCCCNc1ncc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O/c1-2-15-5-3-4-13-10-9(12)6-8(11)7-14-10/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeySQKSZGQXKOIEQO-UHFFFAOYSA-N
XLogP2.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.82
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

N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
5-bromo-3-fluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 104925322
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-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329358
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
5-bromo-3-fluoro-N-(3-propan-2-yloxybutyl)pyridin-2-amine
CID 146237825
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
CID 106306945
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine (CID 104923688) is 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine is CCOCCCNc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine?
The InChIKey is SQKSZGQXKOIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-2-15-5-3-4-13-10-9(12)6-8(11)7-14-10/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine?
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine has a molecular weight of 277.14 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 104923688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).