7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde

C14H12ClF2N3O — CID 168932342

IUPAC7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde
SMILESO=Cc1cc2cnc(Cl)cc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H12ClF2N3O/c15-12-6-11-9(7-18-12)5-10(8-21)19-13(11)20-3-1-14(16,17)2-4-20/h5-8H,1-4H2
InChIKeySYHDYYQHCUYKEK-UHFFFAOYSA-N
MW311.72 g/mol
LogP3.33
Rot. Bonds2

About 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde

7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde (PubChem CID 168932342) has the molecular formula C14H12ClF2N3O and a molecular weight of 311.72 g/mol. Its IUPAC name is 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde
PubChem CID168932342
Molecular FormulaC14H12ClF2N3O
Molecular Weight311.72 g/mol
Exact Mass311.06
IUPAC Name7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde
SMILESO=Cc1cc2cnc(Cl)cc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H12ClF2N3O/c15-12-6-11-9(7-18-12)5-10(8-21)19-13(11)20-3-1-14(16,17)2-4-20/h5-8H,1-4H2
InChIKeySYHDYYQHCUYKEK-UHFFFAOYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 53.33
H-Bond Donors ≤ 50
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 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde?
The IUPAC name of 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde (CID 168932342) is 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde?
The canonical SMILES for 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde is O=Cc1cc2cnc(Cl)cc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde?
The InChIKey is SYHDYYQHCUYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N3O/c15-12-6-11-9(7-18-12)5-10(8-21)19-13(11)20-3-1-14(16,17)2-4-20/h5-8H,1-4H2.
What are the key properties of 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde?
7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde has a molecular weight of 311.72 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4,4-difluoropiperidin-1-yl)-2,6-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 168932342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).