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

C7H5ClF2INO — CID 130072992

IUPAC4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine
SMILESCOc1c(Cl)cc(C(F)F)nc1I
InChIInChI=1S/C7H5ClF2INO/c1-13-5-3(8)2-4(6(9)10)12-7(5)11/h2,6H,1H3
InChIKeyKBUHWTZSSQPSAK-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.29
Rot. Bonds2

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

4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine (PubChem CID 130072992) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine
PubChem CID130072992
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine
SMILESCOc1c(Cl)cc(C(F)F)nc1I
InChIInChI=1S/C7H5ClF2INO/c1-13-5-3(8)2-4(6(9)10)12-7(5)11/h2,6H,1H3
InChIKeyKBUHWTZSSQPSAK-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.29
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

4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015
2,4-dichloro-6-(difluoromethyl)-3-iodopyridine
CID 119020457
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
CID 130073717
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
3-chloro-6-(difluoromethyl)-2-iodopyridin-4-amine
CID 130102520
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
CID 130100522
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130072984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine?
The IUPAC name of 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine (CID 130072992) is 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine is COc1c(Cl)cc(C(F)F)nc1I.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine?
The InChIKey is KBUHWTZSSQPSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c1-13-5-3(8)2-4(6(9)10)12-7(5)11/h2,6H,1H3.
What are the key properties of 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine?
4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine has a molecular weight of 319.48 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-2-iodo-3-methoxypyridine is sourced from PubChem (CID 130072992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).