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

C7H6F2INO — CID 130096647

IUPAC4-(difluoromethyl)-3-iodo-5-methoxypyridine
SMILESCOc1cncc(I)c1C(F)F
InChIInChI=1S/C7H6F2INO/c1-12-5-3-11-2-4(10)6(5)7(8)9/h2-3,7H,1H3
InChIKeyABZZJMWMUGHSJN-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.63
Rot. Bonds2

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

4-(difluoromethyl)-3-iodo-5-methoxypyridine (PubChem CID 130096647) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-5-methoxypyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-5-methoxypyridine
PubChem CID130096647
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name4-(difluoromethyl)-3-iodo-5-methoxypyridine
SMILESCOc1cncc(I)c1C(F)F
InChIInChI=1S/C7H6F2INO/c1-12-5-3-11-2-4(10)6(5)7(8)9/h2-3,7H,1H3
InChIKeyABZZJMWMUGHSJN-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-iodo-5-methoxypyridine
CID 130822941
3,5-dimethoxy-4-propan-2-ylpyridine
CID 146509481
4-bromo-3-iodo-5-methoxypyridine
CID 133063942
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
CID 119023099
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
3-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130096639
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
4-(difluoromethyl)-3-fluoro-5-methoxypyridin-2-amine
CID 118991384
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-5-methoxypyridine?
The IUPAC name of 4-(difluoromethyl)-3-iodo-5-methoxypyridine (CID 130096647) is 4-(difluoromethyl)-3-iodo-5-methoxypyridine.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-5-methoxypyridine?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-5-methoxypyridine is COc1cncc(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-5-methoxypyridine?
The InChIKey is ABZZJMWMUGHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c1-12-5-3-11-2-4(10)6(5)7(8)9/h2-3,7H,1H3.
What are the key properties of 4-(difluoromethyl)-3-iodo-5-methoxypyridine?
4-(difluoromethyl)-3-iodo-5-methoxypyridine has a molecular weight of 285.03 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-iodo-5-methoxypyridine is sourced from PubChem (CID 130096647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).