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

C8H7ClF2INO — CID 130085626

IUPAC4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine
SMILESCOc1c(C(F)F)ncc(I)c1CCl
InChIInChI=1S/C8H7ClF2INO/c1-14-7-4(2-9)5(12)3-13-6(7)8(10)11/h3,8H,2H2,1H3
InChIKeyHSMHWIAVNCEHJV-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.37
Rot. Bonds3

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

4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine (PubChem CID 130085626) has the molecular formula C8H7ClF2INO and a molecular weight of 333.50 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine
PubChem CID130085626
Molecular FormulaC8H7ClF2INO
Molecular Weight333.50 g/mol
Exact Mass332.92
IUPAC Name4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine
SMILESCOc1c(C(F)F)ncc(I)c1CCl
InChIInChI=1S/C8H7ClF2INO/c1-14-7-4(2-9)5(12)3-13-6(7)8(10)11/h3,8H,2H2,1H3
InChIKeyHSMHWIAVNCEHJV-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]methanol
CID 118831773
2-[5-(chloromethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130091416
2-(difluoromethyl)-5-iodo-3-methoxypyridine-4-sulfonyl chloride
CID 118849085
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
methyl 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylate
CID 130087629
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylic acid
CID 130087556
[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 118840334
methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 133099542
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine (CID 130085626) is 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine is COc1c(C(F)F)ncc(I)c1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine?
The InChIKey is HSMHWIAVNCEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2INO/c1-14-7-4(2-9)5(12)3-13-6(7)8(10)11/h3,8H,2H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine?
4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine has a molecular weight of 333.50 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine is sourced from PubChem (CID 130085626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).