4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine

C10H14BrFN2 — CID 130589548

IUPAC4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1cncc(Br)c1
InChIInChI=1S/C10H14BrFN2/c1-10(2,13)9(12)4-7-3-8(11)6-14-5-7/h3,5-6,9H,4,13H2,1-2H3
InChIKeyMMPKVGBPVPLUMR-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.46
Rot. Bonds3

About 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine

4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine (PubChem CID 130589548) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
PubChem CID130589548
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1cncc(Br)c1
InChIInChI=1S/C10H14BrFN2/c1-10(2,13)9(12)4-7-3-8(11)6-14-5-7/h3,5-6,9H,4,13H2,1-2H3
InChIKeyMMPKVGBPVPLUMR-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239177
[1-(5-bromo-3-pyridinyl)-3-methyl-3-morpholin-4-ylbutan-2-yl]hydrazine
CID 105240025
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
1-(5-bromo-3-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802895
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine (CID 130589548) is 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine is CC(C)(N)C(F)Cc1cncc(Br)c1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
The InChIKey is MMPKVGBPVPLUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-10(2,13)9(12)4-7-3-8(11)6-14-5-7/h3,5-6,9H,4,13H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine has a molecular weight of 261.14 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-3-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130589548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).