4-(bromomethyl)-2-fluoropyridine;hydrochloride

C6H6BrClFN — CID 23070684

IUPAC4-(bromomethyl)-2-fluoropyridine;hydrochloride
SMILESCl.Fc1cc(CBr)ccn1
InChIInChI=1S/C6H5BrFN.ClH/c7-4-5-1-2-9-6(8)3-5;/h1-3H,4H2;1H
InChIKeyTZHWFYFCFLAXMT-UHFFFAOYSA-N
MW226.48 g/mol
LogP2.54
Rot. Bonds1

About 4-(bromomethyl)-2-fluoropyridine;hydrochloride

4-(bromomethyl)-2-fluoropyridine;hydrochloride (PubChem CID 23070684) has the molecular formula C6H6BrClFN and a molecular weight of 226.48 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoropyridine;hydrochloride.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoropyridine;hydrochloride
PubChem CID23070684
Molecular FormulaC6H6BrClFN
Molecular Weight226.48 g/mol
Exact Mass224.94
IUPAC Name4-(bromomethyl)-2-fluoropyridine;hydrochloride
SMILESCl.Fc1cc(CBr)ccn1
InChIInChI=1S/C6H5BrFN.ClH/c7-4-5-1-2-9-6(8)3-5;/h1-3H,4H2;1H
InChIKeyTZHWFYFCFLAXMT-UHFFFAOYSA-N
XLogP2.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.48
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(bromomethyl)pyridine;hydrochloride
CID 66569513
ethane;2-fluoro-4-(methoxymethyl)pyridine
CID 169168193
(2-fluoro-4-pyridinyl)methyl hypochlorite
CID 89126285
2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
CID 143840195
1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)ethanol
CID 68911299
ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
CID 163299315
N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine
CID 52951947
(2S)-3-(2-fluoro-4-pyridinyl)-N,N,2-trimethylpropan-1-amine
CID 139211023
5-(bromomethyl)-2-fluoropyridine;hydrobromide
CID 121231867
2-[4-(bromomethyl)-2-pyridinyl]-4-methylpyridine;2-(4-ethyl-2-pyridinyl)-4-methylpyridine
CID 159642899
2-fluoro-4-[[9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 19606110
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoropyridine;hydrochloride?
The IUPAC name of 4-(bromomethyl)-2-fluoropyridine;hydrochloride (CID 23070684) is 4-(bromomethyl)-2-fluoropyridine;hydrochloride.
What is the SMILES notation for 4-(bromomethyl)-2-fluoropyridine;hydrochloride?
The canonical SMILES for 4-(bromomethyl)-2-fluoropyridine;hydrochloride is Cl.Fc1cc(CBr)ccn1.
What is the InChIKey of 4-(bromomethyl)-2-fluoropyridine;hydrochloride?
The InChIKey is TZHWFYFCFLAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN.ClH/c7-4-5-1-2-9-6(8)3-5;/h1-3H,4H2;1H.
What are the key properties of 4-(bromomethyl)-2-fluoropyridine;hydrochloride?
4-(bromomethyl)-2-fluoropyridine;hydrochloride has a molecular weight of 226.48 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoropyridine;hydrochloride is sourced from PubChem (CID 23070684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).