6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde

C13H18FNO3 — CID 149111121

IUPAC6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(OCCCCCCF)ncc1C=O
InChIInChI=1S/C13H18FNO3/c1-17-12-8-13(15-9-11(12)10-16)18-7-5-3-2-4-6-14/h8-10H,2-7H2,1H3
InChIKeyQXEJYQKNMXEKCH-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.81
Rot. Bonds9

About 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde

6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde (PubChem CID 149111121) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde
PubChem CID149111121
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(OCCCCCCF)ncc1C=O
InChIInChI=1S/C13H18FNO3/c1-17-12-8-13(15-9-11(12)10-16)18-7-5-3-2-4-6-14/h8-10H,2-7H2,1H3
InChIKeyQXEJYQKNMXEKCH-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-methoxypyridine-3-carbaldehyde
CID 168943047
5-(3-fluoropropoxy)-4-methoxy-2-nitrobenzaldehyde
CID 25051843
5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde
CID 150908364
4-fluoro-6-methoxypyridine-3-carbaldehyde
CID 118434403
4-(3-fluoropropylsulfanyl)-2,5-dimethoxybenzaldehyde
CID 12063238
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
5-methoxypyridazine-4-carbaldehyde
CID 167773624
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
2,5-dimethoxy-4-propoxybenzaldehyde
CID 614240

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde (CID 149111121) is 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde is COc1cc(OCCCCCCF)ncc1C=O.
What is the InChIKey of 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde?
The InChIKey is QXEJYQKNMXEKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-17-12-8-13(15-9-11(12)10-16)18-7-5-3-2-4-6-14/h8-10H,2-7H2,1H3.
What are the key properties of 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde?
6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde has a molecular weight of 255.29 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluorohexoxy)-4-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 149111121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).