3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine

C8H7BrClF2NO — CID 130068796

IUPAC3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
SMILESCOc1nc(C(F)F)cc(CCl)c1Br
InChIInChI=1S/C8H7BrClF2NO/c1-14-8-6(9)4(3-10)2-5(13-8)7(11)12/h2,7H,3H2,1H3
InChIKeyNNLUJIJXSKINHC-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.53
Rot. Bonds3

About 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine

3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine (PubChem CID 130068796) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine.

Molecular Properties

Compound Name3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
PubChem CID130068796
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
SMILESCOc1nc(C(F)F)cc(CCl)c1Br
InChIInChI=1S/C8H7BrClF2NO/c1-14-8-6(9)4(3-10)2-5(13-8)7(11)12/h2,7H,3H2,1H3
InChIKeyNNLUJIJXSKINHC-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
CID 130109372
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068793
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730
4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine;[6-(difluoromethyl)-3-methoxypyridazin-4-yl]methanol
CID 159702476
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
CID 130073717
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068807
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
4-bromo-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118850937
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
CID 119023651
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine?
The IUPAC name of 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine (CID 130068796) is 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine.
What is the SMILES notation for 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine?
The canonical SMILES for 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine is COc1nc(C(F)F)cc(CCl)c1Br.
What is the InChIKey of 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine?
The InChIKey is NNLUJIJXSKINHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c1-14-8-6(9)4(3-10)2-5(13-8)7(11)12/h2,7H,3H2,1H3.
What are the key properties of 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine?
3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine has a molecular weight of 286.50 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine is sourced from PubChem (CID 130068796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).