5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid

C10H11ClF2N4O2 — CID 155284865

IUPAC5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(Nc2ccc(Cl)nn2)CC(F)(F)C1
InChIInChI=1S/C10H11ClF2N4O2/c11-7-1-2-8(16-15-7)14-6-3-10(12,13)5-17(4-6)9(18)19/h1-2,6H,3-5H2,(H,14,16)(H,18,19)
InChIKeyKSULFGMRHQLYDN-UHFFFAOYSA-N
MW292.67 g/mol
LogP1.93
Rot. Bonds2

About 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid

5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid (PubChem CID 155284865) has the molecular formula C10H11ClF2N4O2 and a molecular weight of 292.67 g/mol. Its IUPAC name is 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid
PubChem CID155284865
Molecular FormulaC10H11ClF2N4O2
Molecular Weight292.67 g/mol
Exact Mass292.05
IUPAC Name5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(Nc2ccc(Cl)nn2)CC(F)(F)C1
InChIInChI=1S/C10H11ClF2N4O2/c11-7-1-2-8(16-15-7)14-6-3-10(12,13)5-17(4-6)9(18)19/h1-2,6H,3-5H2,(H,14,16)(H,18,19)
InChIKeyKSULFGMRHQLYDN-UHFFFAOYSA-N
XLogP1.93
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid?
The IUPAC name of 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid (CID 155284865) is 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid?
The canonical SMILES for 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid is O=C(O)N1CC(Nc2ccc(Cl)nn2)CC(F)(F)C1.
What is the InChIKey of 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid?
The InChIKey is KSULFGMRHQLYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N4O2/c11-7-1-2-8(16-15-7)14-6-3-10(12,13)5-17(4-6)9(18)19/h1-2,6H,3-5H2,(H,14,16)(H,18,19).
What are the key properties of 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid?
5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid has a molecular weight of 292.67 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 155284865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).