2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine

C8H7BrF2INO — CID 118821401

IUPAC2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
SMILESCOc1c(CBr)ncc(I)c1C(F)F
InChIInChI=1S/C8H7BrF2INO/c1-14-7-5(2-9)13-3-4(12)6(7)8(10)11/h3,8H,2H2,1H3
InChIKeyLDAVDQNHOLCWEU-UHFFFAOYSA-N
MW377.95 g/mol
LogP3.53
Rot. Bonds3

About 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine

2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine (PubChem CID 118821401) has the molecular formula C8H7BrF2INO and a molecular weight of 377.95 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
PubChem CID118821401
Molecular FormulaC8H7BrF2INO
Molecular Weight377.95 g/mol
Exact Mass376.87
IUPAC Name2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
SMILESCOc1c(CBr)ncc(I)c1C(F)F
InChIInChI=1S/C8H7BrF2INO/c1-14-7-5(2-9)13-3-4(12)6(7)8(10)11/h3,8H,2H2,1H3
InChIKeyLDAVDQNHOLCWEU-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 ≤ 500377.95
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
2-[2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-pyridinyl]acetonitrile
CID 130087046
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-5-iodopyridine
CID 130073145
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridin-3-ol
CID 130083427
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
2-(bromomethyl)-3-iodo-4-methoxy-5-(trifluoromethoxy)pyridine
CID 118815700

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine?
The IUPAC name of 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine (CID 118821401) is 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine.
What is the SMILES notation for 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine?
The canonical SMILES for 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine is COc1c(CBr)ncc(I)c1C(F)F.
What is the InChIKey of 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine?
The InChIKey is LDAVDQNHOLCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2INO/c1-14-7-5(2-9)13-3-4(12)6(7)8(10)11/h3,8H,2H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine?
2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine has a molecular weight of 377.95 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 2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine is sourced from PubChem (CID 118821401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).