4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde

C17H12FN3O3 — CID 150478718

IUPAC4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde
SMILESCOc1ncc(F)cc1-c1nccnc1Oc1ccc(C=O)cc1
InChIInChI=1S/C17H12FN3O3/c1-23-16-14(8-12(18)9-21-16)15-17(20-7-6-19-15)24-13-4-2-11(10-22)3-5-13/h2-10H,1H3
InChIKeyHTIWHNIAHLAYLO-UHFFFAOYSA-N
MW325.30 g/mol
LogP3.29
Rot. Bonds5

About 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde

4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde (PubChem CID 150478718) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde
PubChem CID150478718
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde
SMILESCOc1ncc(F)cc1-c1nccnc1Oc1ccc(C=O)cc1
InChIInChI=1S/C17H12FN3O3/c1-23-16-14(8-12(18)9-21-16)15-17(20-7-6-19-15)24-13-4-2-11(10-22)3-5-13/h2-10H,1H3
InChIKeyHTIWHNIAHLAYLO-UHFFFAOYSA-N
XLogP3.29
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 53.29
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

5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide
CID 89207946
4-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxybenzaldehyde
CID 150215382
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
4-(7-fluoro-6-methoxyquinazolin-4-yl)oxybenzaldehyde
CID 133489416
3-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516184
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
fluorobenzene;4-methoxybenzaldehyde
CID 175119443

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde?
The IUPAC name of 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde (CID 150478718) is 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde.
What is the SMILES notation for 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde?
The canonical SMILES for 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde is COc1ncc(F)cc1-c1nccnc1Oc1ccc(C=O)cc1.
What is the InChIKey of 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde?
The InChIKey is HTIWHNIAHLAYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c1-23-16-14(8-12(18)9-21-16)15-17(20-7-6-19-15)24-13-4-2-11(10-22)3-5-13/h2-10H,1H3.
What are the key properties of 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde?
4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde has a molecular weight of 325.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde is sourced from PubChem (CID 150478718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).