sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide

C17H19N2NaO2 — CID 145004696

IUPACsodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide
SMILESOc1ccccc1-c1cccc(N2CCC3CC3C2)n1.[Na+].[OH-]
InChIInChI=1S/C17H18N2O.Na.H2O/c20-16-6-2-1-4-14(16)15-5-3-7-17(18-15)19-9-8-12-10-13(12)11-19;;/h1-7,12-13,20H,8-11H2;;1H2/q;+1;/p-1
InChIKeyHMOROZGXHAUCET-UHFFFAOYSA-M
MW306.34 g/mol
LogP0.13
Rot. Bonds2

About sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide

sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide (PubChem CID 145004696) has the molecular formula C17H19N2NaO2 and a molecular weight of 306.34 g/mol. Its IUPAC name is sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide.

Molecular Properties

Compound Namesodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide
PubChem CID145004696
Molecular FormulaC17H19N2NaO2
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Namesodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide
SMILESOc1ccccc1-c1cccc(N2CCC3CC3C2)n1.[Na+].[OH-]
InChIInChI=1S/C17H18N2O.Na.H2O/c20-16-6-2-1-4-14(16)15-5-3-7-17(18-15)19-9-8-12-10-13(12)11-19;;/h1-7,12-13,20H,8-11H2;;1H2/q;+1;/p-1
InChIKeyHMOROZGXHAUCET-UHFFFAOYSA-M
XLogP0.13
TPSA66.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
2-[6-amino-5-[(1S,6R)-3-azatricyclo[4.3.1.08,10]decan-3-yl]pyridazin-3-yl]phenol
CID 174366750
2-(6-fluoro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 61227818
2-(6-chloro-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63586162
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
2-[1-[6-(2-methylphenyl)-2-pyridinyl]piperidin-4-yl]ethylcarbamic acid
CID 67130483
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-propylpyridin-2-amine
CID 80789221
1-[4-[6-[(4aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
CID 145104394
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511

Frequently Asked Questions

What is the IUPAC name of sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide?
The IUPAC name of sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide (CID 145004696) is sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide.
What is the SMILES notation for sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide?
The canonical SMILES for sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide is Oc1ccccc1-c1cccc(N2CCC3CC3C2)n1.[Na+].[OH-].
What is the InChIKey of sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide?
The InChIKey is HMOROZGXHAUCET-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N2O.Na.H2O/c20-16-6-2-1-4-14(16)15-5-3-7-17(18-15)19-9-8-12-10-13(12)11-19;;/h1-7,12-13,20H,8-11H2;;1H2/q;+1;/p-1.
What are the key properties of sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide?
sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide has a molecular weight of 306.34 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[6-(3-azabicyclo[4.1.0]heptan-3-yl)-2-pyridinyl]phenol;hydroxide is sourced from PubChem (CID 145004696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).