5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine

C10H14BrFN2O — CID 104918962

IUPAC5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1ncc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O/c1-14(4-3-5-15-2)10-9(12)6-8(11)7-13-10/h6-7H,3-5H2,1-2H3
InChIKeyUGNOAMNZJJOYGF-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.46
Rot. Bonds5

About 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine

5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine (PubChem CID 104918962) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine
PubChem CID104918962
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine
SMILESCOCCCN(C)c1ncc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O/c1-14(4-3-5-15-2)10-9(12)6-8(11)7-13-10/h6-7H,3-5H2,1-2H3
InChIKeyUGNOAMNZJJOYGF-UHFFFAOYSA-N
XLogP2.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-N-(3-methoxypropyl)-2-N-methylpyridine-2,3-diamine
CID 59631539
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
2-N-(3-methoxypropyl)-2-N,5-dimethylpyridine-2,3-diamine
CID 66279324
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
N'-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 106795791
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636357
2-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 104923944
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 104924188
5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957802
5-[(3,5-dibromo-2-pyridinyl)-methylamino]pentan-1-ol
CID 107203331
(2S)-3-[(5-bromo-3-fluoro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 124678709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine (CID 104918962) is 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine is COCCCN(C)c1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
The InChIKey is UGNOAMNZJJOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-14(4-3-5-15-2)10-9(12)6-8(11)7-13-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine?
5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine has a molecular weight of 277.14 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 104918962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).