4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde

C13H10FNO2 — CID 157022323

IUPAC4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1cc(-c2ccc(C=O)cc2)cnc1F
InChIInChI=1S/C13H10FNO2/c1-17-12-6-11(7-15-13(12)14)10-4-2-9(8-16)3-5-10/h2-8H,1H3
InChIKeyCLKRUXHXKZGKTQ-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.71
Rot. Bonds3

About 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde

4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde (PubChem CID 157022323) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
PubChem CID157022323
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1cc(-c2ccc(C=O)cc2)cnc1F
InChIInChI=1S/C13H10FNO2/c1-17-12-6-11(7-15-13(12)14)10-4-2-9(8-16)3-5-10/h2-8H,1H3
InChIKeyCLKRUXHXKZGKTQ-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
CID 118798759
3-methoxy-5-phenylpyridine-2-carbaldehyde
CID 131304226
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
CID 146636310
4-[6-[(3,4,5-trimethoxyphenyl)methylamino]-3-pyridinyl]benzaldehyde
CID 126471081
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
CID 145269302
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
4-(6-chloro-5-methoxypyridazin-3-yl)benzaldehyde
CID 157022258
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde?
The IUPAC name of 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde (CID 157022323) is 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde?
The canonical SMILES for 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde is COc1cc(-c2ccc(C=O)cc2)cnc1F.
What is the InChIKey of 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde?
The InChIKey is CLKRUXHXKZGKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c1-17-12-6-11(7-15-13(12)14)10-4-2-9(8-16)3-5-10/h2-8H,1H3.
What are the key properties of 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde?
4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde has a molecular weight of 231.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 157022323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).