3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde

C11H10ClF2NO2 — CID 139501281

IUPAC3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde
SMILESO=CC1(c2cc(C(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C11H10ClF2NO2/c12-9-4-7(10(13)14)3-8(15-9)11(5-16)1-2-17-6-11/h3-5,10H,1-2,6H2
InChIKeyNRBIXNJAJPQHRW-UHFFFAOYSA-N
MW261.65 g/mol
LogP2.53
Rot. Bonds3

About 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde

3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde (PubChem CID 139501281) has the molecular formula C11H10ClF2NO2 and a molecular weight of 261.65 g/mol. Its IUPAC name is 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde
PubChem CID139501281
Molecular FormulaC11H10ClF2NO2
Molecular Weight261.65 g/mol
Exact Mass261.04
IUPAC Name3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde
SMILESO=CC1(c2cc(C(F)F)cc(Cl)n2)CCOC1
InChIInChI=1S/C11H10ClF2NO2/c12-9-4-7(10(13)14)3-8(15-9)11(5-16)1-2-17-6-11/h3-5,10H,1-2,6H2
InChIKeyNRBIXNJAJPQHRW-UHFFFAOYSA-N
XLogP2.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.65
LogP ≤ 52.53
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'}

Analyze 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde (CID 139501281) is 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde is O=CC1(c2cc(C(F)F)cc(Cl)n2)CCOC1.
What is the InChIKey of 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde?
The InChIKey is NRBIXNJAJPQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO2/c12-9-4-7(10(13)14)3-8(15-9)11(5-16)1-2-17-6-11/h3-5,10H,1-2,6H2.
What are the key properties of 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde?
3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde has a molecular weight of 261.65 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-4-(difluoromethyl)-2-pyridinyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 139501281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).