4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine

C8H6ClF3INO2 — CID 130112648

IUPAC4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(CCl)c(OC(F)(F)F)c(I)n1
InChIInChI=1S/C8H6ClF3INO2/c1-15-5-2-4(3-9)6(7(13)14-5)16-8(10,11)12/h2H,3H2,1H3
InChIKeyMXAVHVKDNYMDRO-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.33
Rot. Bonds3

About 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine

4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 130112648) has the molecular formula C8H6ClF3INO2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID130112648
Molecular FormulaC8H6ClF3INO2
Molecular Weight367.49 g/mol
Exact Mass366.91
IUPAC Name4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(CCl)c(OC(F)(F)F)c(I)n1
InChIInChI=1S/C8H6ClF3INO2/c1-15-5-2-4(3-9)6(7(13)14-5)16-8(10,11)12/h2H,3H2,1H3
InChIKeyMXAVHVKDNYMDRO-UHFFFAOYSA-N
XLogP3.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
CID 118818475
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134669452
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668325
4-(bromomethyl)-6-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134671271
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine (CID 130112648) is 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine is COc1cc(CCl)c(OC(F)(F)F)c(I)n1.
What is the InChIKey of 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is MXAVHVKDNYMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3INO2/c1-15-5-2-4(3-9)6(7(13)14-5)16-8(10,11)12/h2H,3H2,1H3.
What are the key properties of 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 367.49 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).