2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide

C6H5Br2ClFN — CID 138040566

IUPAC2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide
SMILESBr.Fc1c(Cl)ccnc1CBr
InChIInChI=1S/C6H4BrClFN.BrH/c7-3-5-6(9)4(8)1-2-10-5;/h1-2H,3H2;1H
InChIKeyCDYPCZLCGZUMKS-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.35
Rot. Bonds1

About 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide

2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide (PubChem CID 138040566) has the molecular formula C6H5Br2ClFN and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide
PubChem CID138040566
Molecular FormulaC6H5Br2ClFN
Molecular Weight305.37 g/mol
Exact Mass302.85
IUPAC Name2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide
SMILESBr.Fc1c(Cl)ccnc1CBr
InChIInChI=1S/C6H4BrClFN.BrH/c7-3-5-6(9)4(8)1-2-10-5;/h1-2H,3H2;1H
InChIKeyCDYPCZLCGZUMKS-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-3-fluoro-2-pyridinyl)methanol
CID 19791242
(4-chloro-3-fluoro-2-pyridinyl)methylcarbamic acid
CID 139560678
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
2-[2-[(R)-tert-butylsulfinyl]ethyl]-4-chloro-3-fluoropyridine
CID 157058319
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
N'-[(4-chloro-3-fluoro-2-pyridinyl)methyl]-N-methyl-N-(2-methylpropyl)methanimidamide
CID 54230886
3-(bromomethyl)-4-chloro-2-methylpyridine
CID 130772203
4-chloro-3-fluoropyridine-2-carbonitrile
CID 59529765
3-bromo-2-(bromomethyl)-4-(trifluoromethyl)pyridine
CID 130951517
4-(bromomethyl)-3-chloro-2-(trifluoromethyl)pyridine
CID 118704131
4-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089786
3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine
CID 130092114

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide?
The IUPAC name of 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide (CID 138040566) is 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide?
The canonical SMILES for 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide is Br.Fc1c(Cl)ccnc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide?
The InChIKey is CDYPCZLCGZUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClFN.BrH/c7-3-5-6(9)4(8)1-2-10-5;/h1-2H,3H2;1H.
What are the key properties of 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide?
2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide has a molecular weight of 305.37 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide is sourced from PubChem (CID 138040566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).