5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine

C6H8BrFN2 — CID 139453665

IUPAC5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine
SMILESCC1C(F)=CC(Br)=CN1N
InChIInChI=1S/C6H8BrFN2/c1-4-6(8)2-5(7)3-10(4)9/h2-4H,9H2,1H3
InChIKeyVIINIWHUWMRCOO-UHFFFAOYSA-N
MW207.05 g/mol
LogP1.65
Rot. Bonds

About 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine

5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine (PubChem CID 139453665) has the molecular formula C6H8BrFN2 and a molecular weight of 207.05 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine
PubChem CID139453665
Molecular FormulaC6H8BrFN2
Molecular Weight207.05 g/mol
Exact Mass205.99
IUPAC Name5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine
SMILESCC1C(F)=CC(Br)=CN1N
InChIInChI=1S/C6H8BrFN2/c1-4-6(8)2-5(7)3-10(4)9/h2-4H,9H2,1H3
InChIKeyVIINIWHUWMRCOO-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.05
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine?
The IUPAC name of 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine (CID 139453665) is 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine.
What is the SMILES notation for 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine?
The canonical SMILES for 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine is CC1C(F)=CC(Br)=CN1N.
What is the InChIKey of 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine?
The InChIKey is VIINIWHUWMRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrFN2/c1-4-6(8)2-5(7)3-10(4)9/h2-4H,9H2,1H3.
What are the key properties of 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine?
5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine has a molecular weight of 207.05 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-2-methyl-2H-pyridin-1-amine is sourced from PubChem (CID 139453665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).