2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde

C12H15ClFN3O — CID 178088940

IUPAC2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(NC2CN(CCCF)C2)nc1Cl
InChIInChI=1S/C12H15ClFN3O/c13-12-9(8-18)2-3-11(16-12)15-10-6-17(7-10)5-1-4-14/h2-3,8,10H,1,4-7H2,(H,15,16)
InChIKeyFTTJJMHIJYZRPV-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.00
Rot. Bonds6

About 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde

2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde (PubChem CID 178088940) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde
PubChem CID178088940
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(NC2CN(CCCF)C2)nc1Cl
InChIInChI=1S/C12H15ClFN3O/c13-12-9(8-18)2-3-11(16-12)15-10-6-17(7-10)5-1-4-14/h2-3,8,10H,1,4-7H2,(H,15,16)
InChIKeyFTTJJMHIJYZRPV-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde (CID 178088940) is 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde is O=Cc1ccc(NC2CN(CCCF)C2)nc1Cl.
What is the InChIKey of 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde?
The InChIKey is FTTJJMHIJYZRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O/c13-12-9(8-18)2-3-11(16-12)15-10-6-17(7-10)5-1-4-14/h2-3,8,10H,1,4-7H2,(H,15,16).
What are the key properties of 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde?
2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde has a molecular weight of 271.72 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(3-fluoropropyl)azetidin-3-yl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 178088940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).