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

C7H5ClF2INO — CID 130072984

IUPAC3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
SMILESCOc1c(C(F)F)cnc(I)c1Cl
InChIInChI=1S/C7H5ClF2INO/c1-13-5-3(6(9)10)2-12-7(11)4(5)8/h2,6H,1H3
InChIKeyHCJDRJOUOKJORD-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.29
Rot. Bonds2

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

3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine (PubChem CID 130072984) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
PubChem CID130072984
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
SMILESCOc1c(C(F)F)cnc(I)c1Cl
InChIInChI=1S/C7H5ClF2INO/c1-13-5-3(6(9)10)2-12-7(11)4(5)8/h2,6H,1H3
InChIKeyHCJDRJOUOKJORD-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
3-chloro-5-(difluoromethyl)-2-iodopyridin-4-amine
CID 118829021
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
3,4-dichloro-5-(difluoromethyl)-2-methoxypyridine
CID 130099248
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
CID 130109360
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine?
The IUPAC name of 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine (CID 130072984) is 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine is COc1c(C(F)F)cnc(I)c1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine?
The InChIKey is HCJDRJOUOKJORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c1-13-5-3(6(9)10)2-12-7(11)4(5)8/h2,6H,1H3.
What are the key properties of 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine?
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine has a molecular weight of 319.48 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine is sourced from PubChem (CID 130072984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).