5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine

C11H16BrFN2 — CID 106329358

IUPAC5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2/c1-4-11(3,5-2)15-10-9(13)6-8(12)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMWWQIGXXYUBXDW-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.97
Rot. Bonds4

About 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine

5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine (PubChem CID 106329358) has the molecular formula C11H16BrFN2 and a molecular weight of 275.16 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
PubChem CID106329358
Molecular FormulaC11H16BrFN2
Molecular Weight275.16 g/mol
Exact Mass274.05
IUPAC Name5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
SMILESCCC(C)(CC)Nc1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2/c1-4-11(3,5-2)15-10-9(13)6-8(12)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMWWQIGXXYUBXDW-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylbutane-1,2-diamine
CID 79734278
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
5-bromo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329876
5-bromo-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 104924591
2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 155162232
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-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114154303
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
5-bromo-3-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 103584161
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine (CID 106329358) is 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine is CCC(C)(CC)Nc1ncc(Br)cc1F.
What is the InChIKey of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
The InChIKey is MWWQIGXXYUBXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-4-11(3,5-2)15-10-9(13)6-8(12)7-14-10/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine?
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine has a molecular weight of 275.16 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine is sourced from PubChem (CID 106329358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).