3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine

C7H4Cl2F2IN — CID 130073184

IUPAC3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
SMILESFC(F)c1c(CCl)cnc(I)c1Cl
InChIInChI=1S/C7H4Cl2F2IN/c8-1-3-2-13-7(12)5(9)4(3)6(10)11/h2,6H,1H2
InChIKeyMXACFTWOPRGXOE-UHFFFAOYSA-N
MW337.92 g/mol
LogP4.02
Rot. Bonds2

About 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine

3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine (PubChem CID 130073184) has the molecular formula C7H4Cl2F2IN and a molecular weight of 337.92 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
PubChem CID130073184
Molecular FormulaC7H4Cl2F2IN
Molecular Weight337.92 g/mol
Exact Mass336.87
IUPAC Name3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
SMILESFC(F)c1c(CCl)cnc(I)c1Cl
InChIInChI=1S/C7H4Cl2F2IN/c8-1-3-2-13-7(12)5(9)4(3)6(10)11/h2,6H,1H2
InChIKeyMXACFTWOPRGXOE-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 54.02
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

2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075618
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
4-chloro-3-(difluoromethyl)-2-iodo-5-methylpyridine
CID 118822414
2-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119019335
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
5-chloro-4-(difluoromethyl)-2,3-diiodopyridine
CID 130100430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine (CID 130073184) is 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine is FC(F)c1c(CCl)cnc(I)c1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine?
The InChIKey is MXACFTWOPRGXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2IN/c8-1-3-2-13-7(12)5(9)4(3)6(10)11/h2,6H,1H2.
What are the key properties of 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine?
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine has a molecular weight of 337.92 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine is sourced from PubChem (CID 130073184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).