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

C7H6F2INO — CID 130096639

IUPAC3-(difluoromethyl)-2-iodo-4-methoxypyridine
SMILESCOc1ccnc(I)c1C(F)F
InChIInChI=1S/C7H6F2INO/c1-12-4-2-3-11-7(10)5(4)6(8)9/h2-3,6H,1H3
InChIKeyVHFURHXJPWLNQW-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.63
Rot. Bonds2

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

3-(difluoromethyl)-2-iodo-4-methoxypyridine (PubChem CID 130096639) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-iodo-4-methoxypyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-iodo-4-methoxypyridine
PubChem CID130096639
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name3-(difluoromethyl)-2-iodo-4-methoxypyridine
SMILESCOc1ccnc(I)c1C(F)F
InChIInChI=1S/C7H6F2INO/c1-12-4-2-3-11-7(10)5(4)6(8)9/h2-3,6H,1H3
InChIKeyVHFURHXJPWLNQW-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-4-methoxy-2-methylpyridine
CID 130097309
3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
CID 130097501
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
4-(difluoromethyl)-3-iodo-5-methoxypyridine
CID 130096647
2-(difluoromethyl)-1-iodo-3,4-dimethoxybenzene
CID 119023099
3-(bromomethyl)-2-(difluoromethyl)-4-methoxypyridine
CID 130097365
3-(difluoromethyl)-5-methoxypyridine-2,4-diamine
CID 119019295
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-iodo-4-methoxypyridine?
The IUPAC name of 3-(difluoromethyl)-2-iodo-4-methoxypyridine (CID 130096639) is 3-(difluoromethyl)-2-iodo-4-methoxypyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-iodo-4-methoxypyridine?
The canonical SMILES for 3-(difluoromethyl)-2-iodo-4-methoxypyridine is COc1ccnc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-iodo-4-methoxypyridine?
The InChIKey is VHFURHXJPWLNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c1-12-4-2-3-11-7(10)5(4)6(8)9/h2-3,6H,1H3.
What are the key properties of 3-(difluoromethyl)-2-iodo-4-methoxypyridine?
3-(difluoromethyl)-2-iodo-4-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 3-(difluoromethyl)-2-iodo-4-methoxypyridine is sourced from PubChem (CID 130096639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).