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

C8H7BrF2INO — CID 130085587

IUPAC4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
SMILESCOc1cnc(I)c(C(F)F)c1CBr
InChIInChI=1S/C8H7BrF2INO/c1-14-5-3-13-8(12)6(7(10)11)4(5)2-9/h3,7H,2H2,1H3
InChIKeyPYXNKNZHRCFDHY-UHFFFAOYSA-N
MW377.95 g/mol
LogP3.53
Rot. Bonds3

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

4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine (PubChem CID 130085587) has the molecular formula C8H7BrF2INO and a molecular weight of 377.95 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
PubChem CID130085587
Molecular FormulaC8H7BrF2INO
Molecular Weight377.95 g/mol
Exact Mass376.87
IUPAC Name4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
SMILESCOc1cnc(I)c(C(F)F)c1CBr
InChIInChI=1S/C8H7BrF2INO/c1-14-5-3-13-8(12)6(7(10)11)4(5)2-9/h3,7H,2H2,1H3
InChIKeyPYXNKNZHRCFDHY-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

[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195
2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
methyl 2-[4-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133101449
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
3-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130096639
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine?
The IUPAC name of 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine (CID 130085587) is 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine.
What is the SMILES notation for 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine?
The canonical SMILES for 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine is COc1cnc(I)c(C(F)F)c1CBr.
What is the InChIKey of 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine?
The InChIKey is PYXNKNZHRCFDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2INO/c1-14-5-3-13-8(12)6(7(10)11)4(5)2-9/h3,7H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine?
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-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)-2-iodo-5-methoxypyridine is sourced from PubChem (CID 130085587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).