5-iodo-3-methoxypyridine-2-carbaldehyde

C7H6INO2 — CID 130880961

IUPAC5-iodo-3-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(I)cnc1C=O
InChIInChI=1S/C7H6INO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3
InChIKeyVOPBCRNEZQDLHL-UHFFFAOYSA-N
MW263.03 g/mol
LogP1.51
Rot. Bonds2

About 5-iodo-3-methoxypyridine-2-carbaldehyde

5-iodo-3-methoxypyridine-2-carbaldehyde (PubChem CID 130880961) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 5-iodo-3-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-iodo-3-methoxypyridine-2-carbaldehyde
PubChem CID130880961
Molecular FormulaC7H6INO2
Molecular Weight263.03 g/mol
Exact Mass262.94
IUPAC Name5-iodo-3-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(I)cnc1C=O
InChIInChI=1S/C7H6INO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3
InChIKeyVOPBCRNEZQDLHL-UHFFFAOYSA-N
XLogP1.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.03
LogP ≤ 51.51
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

CID 156813524
CID 156813524
5-chloro-3-methoxypyridine-2-carbaldehyde;ethane
CID 144606570
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134660144
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
5-bromo-3,6-dimethoxypyridine-2-carbaldehyde
CID 176871253
5-[2-chloro-3-[3-chloro-2-(6-formyl-5-methoxy-3-pyridinyl)-4-pyridinyl]phenyl]-3-methoxypyridine-2-carbaldehyde
CID 170696962
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-methoxypyridine-2-carbaldehyde?
The IUPAC name of 5-iodo-3-methoxypyridine-2-carbaldehyde (CID 130880961) is 5-iodo-3-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-iodo-3-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 5-iodo-3-methoxypyridine-2-carbaldehyde is COc1cc(I)cnc1C=O.
What is the InChIKey of 5-iodo-3-methoxypyridine-2-carbaldehyde?
The InChIKey is VOPBCRNEZQDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2/c1-11-7-2-5(8)3-9-6(7)4-10/h2-4H,1H3.
What are the key properties of 5-iodo-3-methoxypyridine-2-carbaldehyde?
5-iodo-3-methoxypyridine-2-carbaldehyde has a molecular weight of 263.03 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 130880961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).