6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine

C8H4ClF5INO — CID 134666809

IUPAC6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)c1c(OC(F)(F)F)cc(CCl)nc1I
InChIInChI=1S/C8H4ClF5INO/c9-2-3-1-4(17-8(12,13)14)5(6(10)11)7(15)16-3/h1,6H,2H2
InChIKeyOSDIWVXSEFUQFK-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.26
Rot. Bonds3

About 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine

6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine (PubChem CID 134666809) has the molecular formula C8H4ClF5INO and a molecular weight of 387.47 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
PubChem CID134666809
Molecular FormulaC8H4ClF5INO
Molecular Weight387.47 g/mol
Exact Mass386.89
IUPAC Name6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
SMILESFC(F)c1c(OC(F)(F)F)cc(CCl)nc1I
InChIInChI=1S/C8H4ClF5INO/c9-2-3-1-4(17-8(12,13)14)5(6(10)11)7(15)16-3/h1,6H,2H2
InChIKeyOSDIWVXSEFUQFK-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[6-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670662
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
CID 134679264
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118804353
6-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119009701
6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111265
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
3-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 118823436
3-(difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134664946
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine (CID 134666809) is 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine is FC(F)c1c(OC(F)(F)F)cc(CCl)nc1I.
What is the InChIKey of 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine?
The InChIKey is OSDIWVXSEFUQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF5INO/c9-2-3-1-4(17-8(12,13)14)5(6(10)11)7(15)16-3/h1,6H,2H2.
What are the key properties of 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine?
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine has a molecular weight of 387.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134666809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).