4-bromo-2-fluoro-2-methyl-1H-pyridine

C6H7BrFN — CID 163607972

IUPAC4-bromo-2-fluoro-2-methyl-1H-pyridine
SMILESCC1(F)C=C(Br)C=CN1
InChIInChI=1S/C6H7BrFN/c1-6(8)4-5(7)2-3-9-6/h2-4,9H,1H3
InChIKeyHDKPNANAMITEQT-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.07
Rot. Bonds

About 4-bromo-2-fluoro-2-methyl-1H-pyridine

4-bromo-2-fluoro-2-methyl-1H-pyridine (PubChem CID 163607972) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 4-bromo-2-fluoro-2-methyl-1H-pyridine.

Molecular Properties

Compound Name4-bromo-2-fluoro-2-methyl-1H-pyridine
PubChem CID163607972
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name4-bromo-2-fluoro-2-methyl-1H-pyridine
SMILESCC1(F)C=C(Br)C=CN1
InChIInChI=1S/C6H7BrFN/c1-6(8)4-5(7)2-3-9-6/h2-4,9H,1H3
InChIKeyHDKPNANAMITEQT-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2-fluoro-4-iodo-2-methyl-1H-pyridine
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2-(bromomethyl)-2-fluoro-1H-pyridine
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2-bromo-2-(trifluoromethyl)-1H-pyridine
CID 66918749
2-bromo-3-fluoro-2-methyl-1H-pyridine
CID 68597580
4-Chloro-5-fluoro-alpha-bromo-2-picoline
CID 86750042
6-Fluoro-2-methyl-1,2-dihydropyridine
CID 90267004
5-Fluoro-2-methyl-1,2-dihydropyridine
CID 90950322
2-bromo-2-(2-fluoropropan-2-yl)-1H-pyridine
CID 126483986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-2-methyl-1H-pyridine?
The IUPAC name of 4-bromo-2-fluoro-2-methyl-1H-pyridine (CID 163607972) is 4-bromo-2-fluoro-2-methyl-1H-pyridine.
What is the SMILES notation for 4-bromo-2-fluoro-2-methyl-1H-pyridine?
The canonical SMILES for 4-bromo-2-fluoro-2-methyl-1H-pyridine is CC1(F)C=C(Br)C=CN1.
What is the InChIKey of 4-bromo-2-fluoro-2-methyl-1H-pyridine?
The InChIKey is HDKPNANAMITEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-6(8)4-5(7)2-3-9-6/h2-4,9H,1H3.
What are the key properties of 4-bromo-2-fluoro-2-methyl-1H-pyridine?
4-bromo-2-fluoro-2-methyl-1H-pyridine has a molecular weight of 192.03 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-2-methyl-1H-pyridine is sourced from PubChem (CID 163607972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).