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

C7H4ClF3IN — CID 130080047

IUPAC6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
SMILESFc1nc(CCl)cc(C(F)F)c1I
InChIInChI=1S/C7H4ClF3IN/c8-2-3-1-4(6(9)10)5(12)7(11)13-3/h1,6H,2H2
InChIKeyNLZSQJKXJVCZAV-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.50
Rot. Bonds2

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

6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine (PubChem CID 130080047) has the molecular formula C7H4ClF3IN and a molecular weight of 321.47 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
PubChem CID130080047
Molecular FormulaC7H4ClF3IN
Molecular Weight321.47 g/mol
Exact Mass320.90
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
SMILESFc1nc(CCl)cc(C(F)F)c1I
InChIInChI=1S/C7H4ClF3IN/c8-2-3-1-4(6(9)10)5(12)7(11)13-3/h1,6H,2H2
InChIKeyNLZSQJKXJVCZAV-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

[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[6-(chloromethyl)-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetic acid
CID 130087649
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
CID 130105343
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
6-(chloromethyl)-4-(difluoromethyl)-2-methylpyridin-3-ol
CID 130083736
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133103785
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine (CID 130080047) is 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine is Fc1nc(CCl)cc(C(F)F)c1I.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine?
The InChIKey is NLZSQJKXJVCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3IN/c8-2-3-1-4(6(9)10)5(12)7(11)13-3/h1,6H,2H2.
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine?
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-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 6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine is sourced from PubChem (CID 130080047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).