4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H5F3INO2 — CID 130113003

IUPAC4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESCc1cc(I)c(OC(F)(F)F)c(C=O)n1
InChIInChI=1S/C8H5F3INO2/c1-4-2-5(12)7(6(3-14)13-4)15-8(9,10)11/h2-3H,1H3
InChIKeyMDMVTCQRXQYBDN-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.71
Rot. Bonds2

About 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde

4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 130113003) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID130113003
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Name4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESCc1cc(I)c(OC(F)(F)F)c(C=O)n1
InChIInChI=1S/C8H5F3INO2/c1-4-2-5(12)7(6(3-14)13-4)15-8(9,10)11/h2-3H,1H3
InChIKeyMDMVTCQRXQYBDN-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-iodo-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118811818
4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
CID 130112544
4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134660144
4-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118817416
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
4-amino-6-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118806171
methyl 4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660206
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 130113003) is 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde is Cc1cc(I)c(OC(F)(F)F)c(C=O)n1.
What is the InChIKey of 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is MDMVTCQRXQYBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c1-4-2-5(12)7(6(3-14)13-4)15-8(9,10)11/h2-3H,1H3.
What are the key properties of 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 331.03 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methyl-3-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 130113003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).