methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride

C15H19ClF2N2O2 — CID 170975594

IUPACmethyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(C2CC3(CCN2)CC(F)(F)C3)cn1.Cl
InChIInChI=1S/C15H18F2N2O2.ClH/c1-21-13(20)11-3-2-10(7-19-11)12-6-14(4-5-18-12)8-15(16,17)9-14;/h2-3,7,12,18H,4-6,8-9H2,1H3;1H
InChIKeyNNTWLNWUAGMEGQ-UHFFFAOYSA-N
MW332.78 g/mol
LogP3.13
Rot. Bonds2

About methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride

methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride (PubChem CID 170975594) has the molecular formula C15H19ClF2N2O2 and a molecular weight of 332.78 g/mol. Its IUPAC name is methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride
PubChem CID170975594
Molecular FormulaC15H19ClF2N2O2
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Namemethyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(C2CC3(CCN2)CC(F)(F)C3)cn1.Cl
InChIInChI=1S/C15H18F2N2O2.ClH/c1-21-13(20)11-3-2-10(7-19-11)12-6-14(4-5-18-12)8-15(16,17)9-14;/h2-3,7,12,18H,4-6,8-9H2,1H3;1H
InChIKeyNNTWLNWUAGMEGQ-UHFFFAOYSA-N
XLogP3.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 4-(2-hydroxy-7-azaspiro[3.5]nonan-6-yl)benzoate
CID 170273726
methyl 4-[(6S)-2-methylsulfanyl-7-azaspiro[3.5]nonan-6-yl]benzoate
CID 178035531
methyl (6S)-2,2-difluoro-7-azaspiro[3.5]nonane-6-carboxylate
CID 167518203
5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
CID 167033139
methyl 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)-5-(2-methoxyethylamino)-2-methylbenzoate
CID 176939586
methyl 5-(3,3-difluoropyrrolidin-1-yl)pyridine-2-carboxylate
CID 150740136
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
methyl 4-(3-methoxy-7-azaspiro[3.5]nonan-8-yl)benzoate
CID 169049754
methyl 4-(1-oxa-8-azaspiro[4.5]decan-7-yl)benzoate
CID 169049737
tert-butyl 4-(2-oxa-7-azaspiro[3.5]nonan-6-yl)benzoate
CID 166158419

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride (CID 170975594) is methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride is COC(=O)c1ccc(C2CC3(CCN2)CC(F)(F)C3)cn1.Cl.
What is the InChIKey of methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride?
The InChIKey is NNTWLNWUAGMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2.ClH/c1-21-13(20)11-3-2-10(7-19-11)12-6-14(4-5-18-12)8-15(16,17)9-14;/h2-3,7,12,18H,4-6,8-9H2,1H3;1H.
What are the key properties of methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride?
methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride has a molecular weight of 332.78 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 170975594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).