6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde

C14H8F2IN3O3 — CID 143098662

IUPAC6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2c1c(I)nn2C=O
InChIInChI=1S/C14H8F2IN3O3/c1-19-12-9(20(6-21)18-13(12)17)5-11(14(19)22)23-10-3-2-7(15)4-8(10)16/h2-6H,1H3
InChIKeyLCWKNZGAUUKVQL-UHFFFAOYSA-N
MW431.14 g/mol
LogP2.45
Rot. Bonds3

About 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde

6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde (PubChem CID 143098662) has the molecular formula C14H8F2IN3O3 and a molecular weight of 431.14 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde
PubChem CID143098662
Molecular FormulaC14H8F2IN3O3
Molecular Weight431.14 g/mol
Exact Mass430.96
IUPAC Name6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2c1c(I)nn2C=O
InChIInChI=1S/C14H8F2IN3O3/c1-19-12-9(20(6-21)18-13(12)17)5-11(14(19)22)23-10-3-2-7(15)4-8(10)16/h2-6H,1H3
InChIKeyLCWKNZGAUUKVQL-UHFFFAOYSA-N
XLogP2.45
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one
CID 71053344
6-(2,4-difluorophenoxy)-8-methyl-2-methylperoxysulfanylpyrido[2,3-d]pyrimidin-7-one
CID 20626911
3-(2,4-difluorophenoxy)-7-[(4-hydroxycyclohexyl)amino]-1-methyl-1,6-naphthyridin-2-one
CID 20626844
4-[4-(2,4-difluorophenoxy)phenyl]-1-methylimidazole
CID 22718134
6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 127041568
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]ethenesulfonamide
CID 146575542
N-[3-(2,4-difluorophenoxy)-2-[1-methyl-5-(methylamino)-6-oxopyridazin-3-yl]phenyl]prop-2-enamide
CID 146575622
methyl 3-(2,4-difluorophenoxy)-6-iodopyridazine-4-carboxylate
CID 167198805
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
6-(2,4-difluorophenoxy)-2-[(4-hydroxy-4-methylpentan-2-yl)amino]-1,8-dimethylpyrido[2,3-d]pyrimidin-1-ium-7-one
CID 59097232
6-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde?
The IUPAC name of 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde (CID 143098662) is 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde?
The canonical SMILES for 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde is Cn1c(=O)c(Oc2ccc(F)cc2F)cc2c1c(I)nn2C=O.
What is the InChIKey of 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde?
The InChIKey is LCWKNZGAUUKVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2IN3O3/c1-19-12-9(20(6-21)18-13(12)17)5-11(14(19)22)23-10-3-2-7(15)4-8(10)16/h2-6H,1H3.
What are the key properties of 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde?
6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde has a molecular weight of 431.14 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-3-iodo-4-methyl-5-oxopyrazolo[4,3-b]pyridine-1-carbaldehyde is sourced from PubChem (CID 143098662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).