4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde

C16H12BrFN2O3 — CID 167309589

IUPAC4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccc(COc2cc(Br)c3c(C=O)c(F)nn3c2)cc1
InChIInChI=1S/C16H12BrFN2O3/c1-22-11-4-2-10(3-5-11)9-23-12-6-14(17)15-13(8-21)16(18)19-20(15)7-12/h2-8H,9H2,1H3
InChIKeyPNAFLZNWXJXJMQ-UHFFFAOYSA-N
MW379.19 g/mol
LogP3.64
Rot. Bonds5

About 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde

4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 167309589) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID167309589
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccc(COc2cc(Br)c3c(C=O)c(F)nn3c2)cc1
InChIInChI=1S/C16H12BrFN2O3/c1-22-11-4-2-10(3-5-11)9-23-12-6-14(17)15-13(8-21)16(18)19-20(15)7-12/h2-8H,9H2,1H3
InChIKeyPNAFLZNWXJXJMQ-UHFFFAOYSA-N
XLogP3.64
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175864824
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 155777830
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
4-bromo-6-ethoxy-2-ethylpyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167309719
3-bromo-2-fluoro-5-[(4-methoxyphenyl)methoxymethyl]pyridine
CID 59548291
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
6-ethoxy-2-fluoropyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 175833363
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 167309589) is 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde is COc1ccc(COc2cc(Br)c3c(C=O)c(F)nn3c2)cc1.
What is the InChIKey of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is PNAFLZNWXJXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c1-22-11-4-2-10(3-5-11)9-23-12-6-14(17)15-13(8-21)16(18)19-20(15)7-12/h2-8H,9H2,1H3.
What are the key properties of 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 379.19 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[(4-methoxyphenyl)methoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 167309589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).