6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde

C10H10FNO2 — CID 58047334

IUPAC6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCC2CC2)nc1F
InChIInChI=1S/C10H10FNO2/c11-10-8(5-13)3-4-9(12-10)14-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyRATJEKVIHVUQFB-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.82
Rot. Bonds4

About 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde

6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde (PubChem CID 58047334) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde
PubChem CID58047334
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCC2CC2)nc1F
InChIInChI=1S/C10H10FNO2/c11-10-8(5-13)3-4-9(12-10)14-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyRATJEKVIHVUQFB-UHFFFAOYSA-N
XLogP1.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde?
The IUPAC name of 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde (CID 58047334) is 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde is O=Cc1ccc(OCC2CC2)nc1F.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde?
The InChIKey is RATJEKVIHVUQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-10-8(5-13)3-4-9(12-10)14-6-7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde?
6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde has a molecular weight of 195.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 58047334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).