methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate

C9H7ClF2INO2 — CID 171029638

IUPACmethyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cc(I)nc1Cl
InChIInChI=1S/C9H7ClF2INO2/c1-16-7(15)3-4-5(9(11)12)2-6(13)14-8(4)10/h2,9H,3H2,1H3
InChIKeyHAIQTLZZIWPAMX-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.99
Rot. Bonds3

About methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate

methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate (PubChem CID 171029638) has the molecular formula C9H7ClF2INO2 and a molecular weight of 361.51 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
PubChem CID171029638
Molecular FormulaC9H7ClF2INO2
Molecular Weight361.51 g/mol
Exact Mass360.92
IUPAC Namemethyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)cc(I)nc1Cl
InChIInChI=1S/C9H7ClF2INO2/c1-16-7(15)3-4-5(9(11)12)2-6(13)14-8(4)10/h2,9H,3H2,1H3
InChIKeyHAIQTLZZIWPAMX-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675744
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
methyl 2-[6-bromo-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134686094
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100336
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133103785
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099823
ethyl 2-[2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101084

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate (CID 171029638) is methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)cc(I)nc1Cl.
What is the InChIKey of methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The InChIKey is HAIQTLZZIWPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2INO2/c1-16-7(15)3-4-5(9(11)12)2-6(13)14-8(4)10/h2,9H,3H2,1H3.
What are the key properties of methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate has a molecular weight of 361.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate is sourced from PubChem (CID 171029638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).