5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde

C15H12ClN3O2 — CID 126481224

IUPAC5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
SMILESCC(Oc1ccc2n[nH]c(C=O)c2c1)c1ccncc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-9(11-4-5-17-7-13(11)16)21-10-2-3-14-12(6-10)15(8-20)19-18-14/h2-9H,1H3,(H,18,19)
InChIKeyLOJJVWGBYWKMGP-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.56
Rot. Bonds4

About 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde

5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde (PubChem CID 126481224) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
PubChem CID126481224
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
SMILESCC(Oc1ccc2n[nH]c(C=O)c2c1)c1ccncc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-9(11-4-5-17-7-13(11)16)21-10-2-3-14-12(6-10)15(8-20)19-18-14/h2-9H,1H3,(H,18,19)
InChIKeyLOJJVWGBYWKMGP-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
CID 156577917
N-[[5-[(Z)-2-[5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593603
(3-formyl-2H-indazol-5-yl) acetate
CID 86682047
2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 84649151
2-[4-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]piperazin-1-yl]acetic acid
CID 134593609
6-chloro-5-methyl-2H-indazole-3-carbaldehyde
CID 82400732
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(oxolan-3-yloxy)-3-pyridinyl]ethenyl]-2H-indazole
CID 155420714
5-iodo-2H-indazole-3-carbaldehyde
CID 23134546
5-[(Z)-2-[5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-N-piperidin-4-ylpyridin-2-amine
CID 135298107
3-chloro-5-(difluoromethoxy)-2H-indazole
CID 76846077
5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-[6-(dimethoxymethyl)-3-pyridinyl]-2-fluoroethenyl]-1-(oxan-2-yl)indazole
CID 134593957
5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde
CID 123604961

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde (CID 126481224) is 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde is CC(Oc1ccc2n[nH]c(C=O)c2c1)c1ccncc1Cl.
What is the InChIKey of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
The InChIKey is LOJJVWGBYWKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9(11-4-5-17-7-13(11)16)21-10-2-3-14-12(6-10)15(8-20)19-18-14/h2-9H,1H3,(H,18,19).
What are the key properties of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde has a molecular weight of 301.73 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 126481224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).