6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide

C13H12ClN3O2 — CID 87178650

IUPAC6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccc(Cl)nn1
InChIInChI=1S/C13H12ClN3O2/c14-12-7-6-10(16-17-12)13(19)15-8-11(18)9-4-2-1-3-5-9/h1-7,11,18H,8H2,(H,15,19)/t11-/m0/s1
InChIKeyYFTKLBQTAOECJY-NSHDSACASA-N
MW277.71 g/mol
LogP1.59
Rot. Bonds4

About 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide

6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide (PubChem CID 87178650) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide
PubChem CID87178650
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1ccc(Cl)nn1
InChIInChI=1S/C13H12ClN3O2/c14-12-7-6-10(16-17-12)13(19)15-8-11(18)9-4-2-1-3-5-9/h1-7,11,18H,8H2,(H,15,19)/t11-/m0/s1
InChIKeyYFTKLBQTAOECJY-NSHDSACASA-N
XLogP1.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
2-[[(6-chloropyridazine-3-carbonyl)amino]methyl]pentanoic acid
CID 114036847
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
6-chloropyridazine-3-carbohydrazide
CID 10080848
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide (CID 87178650) is 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide is O=C(NC[C@H](O)c1ccccc1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide?
The InChIKey is YFTKLBQTAOECJY-NSHDSACASA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-12-7-6-10(16-17-12)13(19)15-8-11(18)9-4-2-1-3-5-9/h1-7,11,18H,8H2,(H,15,19)/t11-/m0/s1.
What are the key properties of 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide?
6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 87178650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).