4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine

C7H4ClF3IN — CID 130080071

IUPAC4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
SMILESFc1c(CCl)cc(I)nc1C(F)F
InChIInChI=1S/C7H4ClF3IN/c8-2-3-1-4(12)13-6(5(3)9)7(10)11/h1,7H,2H2
InChIKeyRFTNZTCOWRQSSH-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.50
Rot. Bonds2

About 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine

4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine (PubChem CID 130080071) has the molecular formula C7H4ClF3IN and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
PubChem CID130080071
Molecular FormulaC7H4ClF3IN
Molecular Weight321.47 g/mol
Exact Mass320.90
IUPAC Name4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
SMILESFc1c(CCl)cc(I)nc1C(F)F
InChIInChI=1S/C7H4ClF3IN/c8-2-3-1-4(12)13-6(5(3)9)7(10)11/h1,7H,2H2
InChIKeyRFTNZTCOWRQSSH-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
3-chloro-2-(difluoromethyl)-6-iodopyridine-4-carbonitrile
CID 130070976
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
2-bromo-3-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 119011286

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine (CID 130080071) is 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine is Fc1c(CCl)cc(I)nc1C(F)F.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine?
The InChIKey is RFTNZTCOWRQSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3IN/c8-2-3-1-4(12)13-6(5(3)9)7(10)11/h1,7H,2H2.
What are the key properties of 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine?
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine has a molecular weight of 321.47 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine is sourced from PubChem (CID 130080071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).