6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine

C8H7BrClF2NO — CID 130073747

IUPAC6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
SMILESCOc1c(Cl)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H7BrClF2NO/c1-14-7-5(10)2-4(3-9)13-6(7)8(11)12/h2,8H,3H2,1H3
InChIKeyMQTMIFLQWSSDGU-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.58
Rot. Bonds3

About 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine

6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine (PubChem CID 130073747) has the molecular formula C8H7BrClF2NO and a molecular weight of 286.50 g/mol. Its IUPAC name is 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine.

Molecular Properties

Compound Name6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
PubChem CID130073747
Molecular FormulaC8H7BrClF2NO
Molecular Weight286.50 g/mol
Exact Mass284.94
IUPAC Name6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
SMILESCOc1c(Cl)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H7BrClF2NO/c1-14-7-5(10)2-4(3-9)13-6(7)8(11)12/h2,8H,3H2,1H3
InChIKeyMQTMIFLQWSSDGU-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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

6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134676136
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-4-methoxypyridine
CID 130073771
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine
CID 130072992
[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 133084888

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine?
The IUPAC name of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine (CID 130073747) is 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine.
What is the SMILES notation for 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine?
The canonical SMILES for 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine is COc1c(Cl)cc(CBr)nc1C(F)F.
What is the InChIKey of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine?
The InChIKey is MQTMIFLQWSSDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO/c1-14-7-5(10)2-4(3-9)13-6(7)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine?
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine has a molecular weight of 286.50 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine is sourced from PubChem (CID 130073747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).