6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine

C7H8BrFN2 — CID 86043610

IUPAC6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1ccc(Br)nc1F
InChIInChI=1S/C7H8BrFN2/c1-11(2)5-3-4-6(8)10-7(5)9/h3-4H,1-2H3
InChIKeyQRMJPPWQBJHUHF-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.05
Rot. Bonds1

About 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine

6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine (PubChem CID 86043610) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine
PubChem CID86043610
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1ccc(Br)nc1F
InChIInChI=1S/C7H8BrFN2/c1-11(2)5-3-4-6(8)10-7(5)9/h3-4H,1-2H3
InChIKeyQRMJPPWQBJHUHF-UHFFFAOYSA-N
XLogP2.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine?
The IUPAC name of 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine (CID 86043610) is 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine is CN(C)c1ccc(Br)nc1F.
What is the InChIKey of 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine?
The InChIKey is QRMJPPWQBJHUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-11(2)5-3-4-6(8)10-7(5)9/h3-4H,1-2H3.
What are the key properties of 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine?
6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine has a molecular weight of 219.06 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 86043610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).