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

C10H14BrFN2 — CID 130589412

IUPAC4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ncccc1Br
InChIInChI=1S/C10H14BrFN2/c1-10(2,13)9(12)6-8-7(11)4-3-5-14-8/h3-5,9H,6,13H2,1-2H3
InChIKeyYKXXNZFONXJNKO-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.46
Rot. Bonds3

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

4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine (PubChem CID 130589412) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
PubChem CID130589412
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ncccc1Br
InChIInChI=1S/C10H14BrFN2/c1-10(2,13)9(12)6-8-7(11)4-3-5-14-8/h3-5,9H,6,13H2,1-2H3
InChIKeyYKXXNZFONXJNKO-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

3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
2-amino-3-[(3-bromo-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 64819740
2-(2-bromo-3,3-dimethylbutyl)-3-fluoropyridine
CID 63204105

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine (CID 130589412) is 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine is CC(C)(N)C(F)Cc1ncccc1Br.
What is the InChIKey of 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
The InChIKey is YKXXNZFONXJNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-10(2,13)9(12)6-8-7(11)4-3-5-14-8/h3-5,9H,6,13H2,1-2H3.
What are the key properties of 4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine?
4-(3-bromo-2-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-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130589412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).