methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate

C14H14FN3O3 — CID 95257213

IUPACmethyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)nn1
InChIInChI=1S/C14H14FN3O3/c1-21-14(20)11-5-6-13(18-17-11)16-8-12(19)9-3-2-4-10(15)7-9/h2-7,12,19H,8H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyDUGXYYXNSXWLSW-LBPRGKRZSA-N
MW291.28 g/mol
LogP1.55
Rot. Bonds5

About methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate

methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate (PubChem CID 95257213) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate
PubChem CID95257213
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Namemethyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)nn1
InChIInChI=1S/C14H14FN3O3/c1-21-14(20)11-5-6-13(18-17-11)16-8-12(19)9-3-2-4-10(15)7-9/h2-7,12,19H,8H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyDUGXYYXNSXWLSW-LBPRGKRZSA-N
XLogP1.55
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 107390127
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CID 60900339
2-[(2-chloropyrimidin-4-yl)amino]-1-(3-fluorophenyl)ethanol
CID 87727171
methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate
CID 167870458
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
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CID 24820196

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate (CID 95257213) is methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)nn1.
What is the InChIKey of methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate?
The InChIKey is DUGXYYXNSXWLSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-21-14(20)11-5-6-13(18-17-11)16-8-12(19)9-3-2-4-10(15)7-9/h2-7,12,19H,8H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate?
methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate is sourced from PubChem (CID 95257213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).