CID 174020982

C10H11BN2O3 — CID 174020982

IUPAC—
SMILES[B]c1cnc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C10H11BN2O3/c11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyYBSALIQXOUVQAR-UHFFFAOYSA-N
MW218.02 g/mol
LogP-0.59
Rot. Bonds2

About CID 174020982

CID 174020982 (PubChem CID 174020982) has the molecular formula C10H11BN2O3 and a molecular weight of 218.02 g/mol.

Molecular Properties

Compound NameCID 174020982
PubChem CID174020982
Molecular FormulaC10H11BN2O3
Molecular Weight218.02 g/mol
Exact Mass218.09
IUPAC Name—
SMILES[B]c1cnc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C10H11BN2O3/c11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyYBSALIQXOUVQAR-UHFFFAOYSA-N
XLogP-0.59
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.02
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
5-nitro-2-(1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 114046762
5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 118695317
3-morpholin-4-yl-6-sulfanylidene-1H-pyridazine-4-carboxylic acid
CID 117102632
5-(2-chloro-5-methylphenyl)-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 68573321
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
1-(1,4-oxazepan-4-yl)isoquinoline-4-carboxylic acid
CID 106766993
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53056710
2-(4-fluorophenyl)-4-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 53214965
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
CID 170730921
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636

Frequently Asked Questions

What is the IUPAC name of CID 174020982?
The IUPAC name of CID 174020982 (CID 174020982) is not available.
What is the SMILES notation for CID 174020982?
The canonical SMILES for CID 174020982 is [B]c1cnc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of CID 174020982?
The InChIKey is YBSALIQXOUVQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O3/c11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of CID 174020982?
CID 174020982 has a molecular weight of 218.02 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174020982 is sourced from PubChem (CID 174020982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).