6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide

C10H12ClFN4O2 — CID 118167833

IUPAC6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1O[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C10H12ClFN4O2/c11-8-3-5(9(13)17)10(16-15-8)18-7-1-2-14-4-6(7)12/h3,6-7,14H,1-2,4H2,(H2,13,17)/t6-,7-/m0/s1
InChIKeyFVVHYIRCKKMRQO-BQBZGAKWSA-N
MW274.68 g/mol
LogP0.31
Rot. Bonds3

About 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide

6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide (PubChem CID 118167833) has the molecular formula C10H12ClFN4O2 and a molecular weight of 274.68 g/mol. Its IUPAC name is 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide
PubChem CID118167833
Molecular FormulaC10H12ClFN4O2
Molecular Weight274.68 g/mol
Exact Mass274.06
IUPAC Name6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1O[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C10H12ClFN4O2/c11-8-3-5(9(13)17)10(16-15-8)18-7-1-2-14-4-6(7)12/h3,6-7,14H,1-2,4H2,(H2,13,17)/t6-,7-/m0/s1
InChIKeyFVVHYIRCKKMRQO-BQBZGAKWSA-N
XLogP0.31
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide (CID 118167833) is 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1O[C@H]1CCNC[C@@H]1F.
What is the InChIKey of 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide?
The InChIKey is FVVHYIRCKKMRQO-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H12ClFN4O2/c11-8-3-5(9(13)17)10(16-15-8)18-7-1-2-14-4-6(7)12/h3,6-7,14H,1-2,4H2,(H2,13,17)/t6-,7-/m0/s1.
What are the key properties of 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide?
6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide has a molecular weight of 274.68 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide is sourced from PubChem (CID 118167833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).