2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine

C8H8F2INO2 — CID 118842846

IUPAC2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine
SMILESCOc1cc(I)nc(C(F)F)c1OC
InChIInChI=1S/C8H8F2INO2/c1-13-4-3-5(11)12-6(8(9)10)7(4)14-2/h3,8H,1-2H3
InChIKeyBTRFQYBUIZZJRE-UHFFFAOYSA-N
MW315.06 g/mol
LogP2.64
Rot. Bonds3

About 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine

2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine (PubChem CID 118842846) has the molecular formula C8H8F2INO2 and a molecular weight of 315.06 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine
PubChem CID118842846
Molecular FormulaC8H8F2INO2
Molecular Weight315.06 g/mol
Exact Mass314.96
IUPAC Name2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine
SMILESCOc1cc(I)nc(C(F)F)c1OC
InChIInChI=1S/C8H8F2INO2/c1-13-4-3-5(11)12-6(8(9)10)7(4)14-2/h3,8H,1-2H3
InChIKeyBTRFQYBUIZZJRE-UHFFFAOYSA-N
XLogP2.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
2-(difluoromethyl)-6-iodo-4-methoxypyridine-3-sulfonamide
CID 119008795
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
2-(difluoromethyl)-3-methoxy-4,6-dimethylpyridine
CID 130101193
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
6-(difluoromethyl)-5-methoxy-4-methylpyridin-2-amine
CID 130105821
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine?
The IUPAC name of 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine (CID 118842846) is 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine?
The canonical SMILES for 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine is COc1cc(I)nc(C(F)F)c1OC.
What is the InChIKey of 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine?
The InChIKey is BTRFQYBUIZZJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2INO2/c1-13-4-3-5(11)12-6(8(9)10)7(4)14-2/h3,8H,1-2H3.
What are the key properties of 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine?
2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine has a molecular weight of 315.06 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine is sourced from PubChem (CID 118842846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).