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

C8H7BrF2INO — CID 130085591

IUPAC4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
SMILESCOc1nc(I)cc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF2INO/c1-14-8-6(7(10)11)4(3-9)2-5(12)13-8/h2,7H,3H2,1H3
InChIKeyLDGGWSMRNCQDJN-UHFFFAOYSA-N
MW377.95 g/mol
LogP3.53
Rot. Bonds3

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

4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine (PubChem CID 130085591) has the molecular formula C8H7BrF2INO and a molecular weight of 377.95 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
PubChem CID130085591
Molecular FormulaC8H7BrF2INO
Molecular Weight377.95 g/mol
Exact Mass376.87
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
SMILESCOc1nc(I)cc(CBr)c1C(F)F
InChIInChI=1S/C8H7BrF2INO/c1-14-8-6(7(10)11)4(3-9)2-5(12)13-8/h2,7H,3H2,1H3
InChIKeyLDGGWSMRNCQDJN-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 118805504
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
6-(bromomethyl)-3-(difluoromethyl)-2-methoxy-4-methylpyridine
CID 130087803
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
[3-(difluoromethyl)-6-fluoro-2-methoxy-4-pyridinyl]methanol
CID 130080748
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine
CID 119011795
4-(difluoromethyl)-6-iodo-2-methoxypyridin-3-ol
CID 118801396
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine (CID 130085591) is 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine is COc1nc(I)cc(CBr)c1C(F)F.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
The InChIKey is LDGGWSMRNCQDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2INO/c1-14-8-6(7(10)11)4(3-9)2-5(12)13-8/h2,7H,3H2,1H3.
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-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 4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine is sourced from PubChem (CID 130085591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).