CID 154597608

C11H14N2NaO3- — CID 154597608

IUPAC—
SMILESCOC(=O)Cc1cc(N2C[CH-]C2)ccn1.[Na+].[OH-]
InChIInChI=1S/C11H13N2O2.Na.H2O/c1-15-11(14)8-9-7-10(3-4-12-9)13-5-2-6-13;;/h2-4,7H,5-6,8H2,1H3;;1H2/q-1;+1;/p-1
InChIKeyHEHZTHSLCNELJM-UHFFFAOYSA-M
MW245.23 g/mol
LogP-2.35
Rot. Bonds3

About CID 154597608

CID 154597608 (PubChem CID 154597608) has the molecular formula C11H14N2NaO3- and a molecular weight of 245.23 g/mol.

Molecular Properties

Compound NameCID 154597608
PubChem CID154597608
Molecular FormulaC11H14N2NaO3-
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name—
SMILESCOC(=O)Cc1cc(N2C[CH-]C2)ccn1.[Na+].[OH-]
InChIInChI=1S/C11H13N2O2.Na.H2O/c1-15-11(14)8-9-7-10(3-4-12-9)13-5-2-6-13;;/h2-4,7H,5-6,8H2,1H3;;1H2/q-1;+1;/p-1
InChIKeyHEHZTHSLCNELJM-UHFFFAOYSA-M
XLogP-2.35
TPSA72.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-2.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 154597608 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
methyl 2-[4-(oxan-4-yl)-2-pyridinyl]acetate
CID 118627337
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
[4-(4-methoxypiperidin-1-yl)-2-pyridinyl]methanol
CID 61257075
methyl 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]acetate
CID 167882627
methyl 2-[(4-chloro-2-pyridinyl)methylsulfanyl]acetate
CID 79245815
methyl 2-(4-ethyl-6-methyl-2-pyridinyl)acetate
CID 59382426
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
(4-pyrrolidin-1-yl-2-pyridinyl)methanol
CID 61253003
N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103539519
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360

Frequently Asked Questions

What is the IUPAC name of CID 154597608?
The IUPAC name of CID 154597608 (CID 154597608) is not available.
What is the SMILES notation for CID 154597608?
The canonical SMILES for CID 154597608 is COC(=O)Cc1cc(N2C[CH-]C2)ccn1.[Na+].[OH-].
What is the InChIKey of CID 154597608?
The InChIKey is HEHZTHSLCNELJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13N2O2.Na.H2O/c1-15-11(14)8-9-7-10(3-4-12-9)13-5-2-6-13;;/h2-4,7H,5-6,8H2,1H3;;1H2/q-1;+1;/p-1.
What are the key properties of CID 154597608?
CID 154597608 has a molecular weight of 245.23 g/mol, XLogP of -2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154597608 is sourced from PubChem (CID 154597608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).