6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile

C15H10N4O2 — CID 134524092

IUPAC6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-n2ncc3c(C=O)cccc32)ncc1C#N
InChIInChI=1S/C15H10N4O2/c1-21-14-5-15(17-7-11(14)6-16)19-13-4-2-3-10(9-20)12(13)8-18-19/h2-5,7-9H,1H3
InChIKeyUEGHOYZZBJNGSM-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.11
Rot. Bonds3

About 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile

6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile (PubChem CID 134524092) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
PubChem CID134524092
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1cc(-n2ncc3c(C=O)cccc32)ncc1C#N
InChIInChI=1S/C15H10N4O2/c1-21-14-5-15(17-7-11(14)6-16)19-13-4-2-3-10(9-20)12(13)8-18-19/h2-5,7-9H,1H3
InChIKeyUEGHOYZZBJNGSM-UHFFFAOYSA-N
XLogP2.11
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol
CID 164566265
3-formyl-2-(2-methoxyethoxy)benzonitrile
CID 177016506
3-formyl-7-methoxy-1-methylindole-4-carbonitrile
CID 82394067
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
CID 137351285
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile
CID 134524112
2-formyl-3-methoxybenzonitrile
CID 122401577
6-[4-(hydroxymethyl)-3-methyl-2-oxoimidazol-1-yl]-4-methoxypyridine-3-carbonitrile
CID 137350960
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 108760960
6-tert-butyl-4-methoxypyridine-3-carbonitrile
CID 82403915
3-[(2-chloro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955624

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile (CID 134524092) is 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile is COc1cc(-n2ncc3c(C=O)cccc32)ncc1C#N.
What is the InChIKey of 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile?
The InChIKey is UEGHOYZZBJNGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c1-21-14-5-15(17-7-11(14)6-16)19-13-4-2-3-10(9-20)12(13)8-18-19/h2-5,7-9H,1H3.
What are the key properties of 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile?
6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 134524092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).