3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine

C7H8BrFN2 — CID 154577028

IUPAC3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(F)c1Br
InChIInChI=1S/C7H8BrFN2/c1-11(2)5-3-4-10-7(9)6(5)8/h3-4H,1-2H3
InChIKeyLPKWMQOVUAANKZ-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.05
Rot. Bonds1

About 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine

3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine (PubChem CID 154577028) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine
PubChem CID154577028
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(F)c1Br
InChIInChI=1S/C7H8BrFN2/c1-11(2)5-3-4-10-7(9)6(5)8/h3-4H,1-2H3
InChIKeyLPKWMQOVUAANKZ-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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Related Compounds

4-(Dimethylamino)pyridine
CID 14284
2-Bromopyridine
CID 7973
3-Bromopyridine
CID 12286
4-Amino-3-bromopyridine
CID 26095
4-Amino-2-bromopyridine
CID 346455
4-Bromo-2-fluoropyridine
CID 2762851
4-Bromopyridine
CID 14268
4-Bromopyridinium chloride
CID 88100
4-Bromo-2-methylpyridine
CID 2762835
5-Bromopyridine-3,4-diamine
CID 78369
Pyridinium, 4-(dimethylamino)-1-methyl-, iodide (1:1)
CID 202125
3-Bromopyridine-2,4-diamine
CID 12656258

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine?
The IUPAC name of 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine (CID 154577028) is 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(F)c1Br.
What is the InChIKey of 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine?
The InChIKey is LPKWMQOVUAANKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-11(2)5-3-4-10-7(9)6(5)8/h3-4H,1-2H3.
What are the key properties of 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine?
3-bromo-2-fluoro-N,N-dimethylpyridin-4-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 3-bromo-2-fluoro-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 154577028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).