4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid

C10H12ClN3O3 — CID 175295010

IUPAC4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2nccc(Cl)c2=O)CC1
InChIInChI=1S/C10H12ClN3O3/c11-8-1-4-12-14(9(8)15)7-2-5-13(6-3-7)10(16)17/h1,4,7H,2-3,5-6H2,(H,16,17)
InChIKeyMWMWYRDFMDRIBO-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.21
Rot. Bonds1

About 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid

4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 175295010) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
PubChem CID175295010
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2nccc(Cl)c2=O)CC1
InChIInChI=1S/C10H12ClN3O3/c11-8-1-4-12-14(9(8)15)7-2-5-13(6-3-7)10(16)17/h1,4,7H,2-3,5-6H2,(H,16,17)
InChIKeyMWMWYRDFMDRIBO-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 166745303
4-[(E)-2-[1-cyclopropyl-4-(2,6-dichlorophenyl)pyrazol-5-yl]ethenyl]piperidine-1-carboxylic acid
CID 155091098
4-[(3-chloro-4-pyridinyl)-hydroxymethyl]piperidine-1-carboxylic acid
CID 67406184
N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24819283
4-(5-bromo-4-formylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 139535859
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
4-(5-cyano-4-ethynylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 87416642
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
2-cyclopropyl-4-phenylpyridazin-3-one
CID 175867773
4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
CID 123401264
4-(5-bromopyrazol-1-yl)cyclohexane-1-carboxylic acid
CID 82378961

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid (CID 175295010) is 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(n2nccc(Cl)c2=O)CC1.
What is the InChIKey of 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is MWMWYRDFMDRIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-1-4-12-14(9(8)15)7-2-5-13(6-3-7)10(16)17/h1,4,7H,2-3,5-6H2,(H,16,17).
What are the key properties of 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid?
4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 257.68 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-oxopyridazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175295010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).