[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate

C30H34FN5O5 — CID 161018537

IUPAC[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1ccc(F)nc1.COC(=O)c1ccc(N2CC3(CC3)C2)nc1.OCc1ccc(N2CC3(CC3)C2)nc1
InChIInChI=1S/C12H14N2O2.C11H14N2O.C7H6FNO2/c1-16-11(15)9-2-3-10(13-6-9)14-7-12(8-14)4-5-12;14-6-9-1-2-10(12-5-9)13-7-11(8-13)3-4-11;1-11-7(10)5-2-3-6(8)9-4-5/h2-3,6H,4-5,7-8H2,1H3;1-2,5,14H,3-4,6-8H2;2-4H,1H3
InChIKeyTYAXZQBLWPNPTA-UHFFFAOYSA-N
MW563.63 g/mol
LogP3.65
Rot. Bonds5

About [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate

[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate (PubChem CID 161018537) has the molecular formula C30H34FN5O5 and a molecular weight of 563.63 g/mol. Its IUPAC name is [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
PubChem CID161018537
Molecular FormulaC30H34FN5O5
Molecular Weight563.63 g/mol
Exact Mass563.25
IUPAC Name[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
SMILESCOC(=O)c1ccc(F)nc1.COC(=O)c1ccc(N2CC3(CC3)C2)nc1.OCc1ccc(N2CC3(CC3)C2)nc1
InChIInChI=1S/C12H14N2O2.C11H14N2O.C7H6FNO2/c1-16-11(15)9-2-3-10(13-6-9)14-7-12(8-14)4-5-12;14-6-9-1-2-10(12-5-9)13-7-11(8-13)3-4-11;1-11-7(10)5-2-3-6(8)9-4-5/h2-3,6H,4-5,7-8H2,1H3;1-2,5,14H,3-4,6-8H2;2-4H,1H3
InChIKeyTYAXZQBLWPNPTA-UHFFFAOYSA-N
XLogP3.65
TPSA117.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-[2-(3-hydroxypropyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-3-carboxylate
CID 70771539
methyl 6-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carboxylate
CID 134258128
(2,2,2-trifluoroacetyl) 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 162467044
methyl 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]pyridine-3-carboxylate
CID 164688341
6-(benzylamino)pyridine-3-carboxylic acid;methyl 6-(benzylamino)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate
CID 159277489
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 4-[[5-(hydroxymethyl)-2-pyridinyl]oxy]benzoate
CID 138986702
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
CID 131192690
methyl 6-[[2-fluoro-4-(hydroxymethyl)phenoxy]methyl]pyridine-3-carboxylate
CID 107690536
methyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 129078741

Frequently Asked Questions

What is the IUPAC name of [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate?
The IUPAC name of [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate (CID 161018537) is [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate.
What is the SMILES notation for [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate?
The canonical SMILES for [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate is COC(=O)c1ccc(F)nc1.COC(=O)c1ccc(N2CC3(CC3)C2)nc1.OCc1ccc(N2CC3(CC3)C2)nc1.
What is the InChIKey of [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate?
The InChIKey is TYAXZQBLWPNPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.C11H14N2O.C7H6FNO2/c1-16-11(15)9-2-3-10(13-6-9)14-7-12(8-14)4-5-12;14-6-9-1-2-10(12-5-9)13-7-11(8-13)3-4-11;1-11-7(10)5-2-3-6(8)9-4-5/h2-3,6H,4-5,7-8H2,1H3;1-2,5,14H,3-4,6-8H2;2-4H,1H3.
What are the key properties of [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate?
[6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate has a molecular weight of 563.63 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-azaspiro[2.3]hexan-5-yl)-3-pyridinyl]methanol;methyl 6-(5-azaspiro[2.3]hexan-5-yl)pyridine-3-carboxylate;methyl 6-fluoropyridine-3-carboxylate is sourced from PubChem (CID 161018537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).