CID 145160326

C15H10B3ClN2O4 — CID 145160326

IUPAC—
SMILES[B]OC(=O)CN([B])C(=O)c1ncc(-c2cc(Cl)ccc2C)cc1O[B]
InChIInChI=1S/C15H10B3ClN2O4/c1-8-2-3-10(19)5-11(8)9-4-12(24-17)14(20-6-9)15(23)21(16)7-13(22)25-18/h2-6H,7H2,1H3
InChIKeyIONBIKZGLOVRNU-UHFFFAOYSA-N
MW350.14 g/mol
LogP1.33
Rot. Bonds5

About CID 145160326

CID 145160326 (PubChem CID 145160326) has the molecular formula C15H10B3ClN2O4 and a molecular weight of 350.14 g/mol.

Molecular Properties

Compound NameCID 145160326
PubChem CID145160326
Molecular FormulaC15H10B3ClN2O4
Molecular Weight350.14 g/mol
Exact Mass350.06
IUPAC Name—
SMILES[B]OC(=O)CN([B])C(=O)c1ncc(-c2cc(Cl)ccc2C)cc1O[B]
InChIInChI=1S/C15H10B3ClN2O4/c1-8-2-3-10(19)5-11(8)9-4-12(24-17)14(20-6-9)15(23)21(16)7-13(22)25-18/h2-6H,7H2,1H3
InChIKeyIONBIKZGLOVRNU-UHFFFAOYSA-N
XLogP1.33
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.14
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 145160293
CID 145160293
2-[[5-(5-chloro-2-methylphenyl)-3-hydroxypyridine-2-carbonyl]-deuterioamino]acetic acid
CID 140848117
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
methyl 5-bromopyridine-2-carboxylate;methyl 5-(5-chloro-2-methylphenyl)pyridine-2-carboxylate
CID 159139193
(5-chloro-2-methylphenyl) propanoate
CID 131155608
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
methyl 3-[(5-chloro-2-methylbenzoyl)-methylamino]propanoate
CID 113329866
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547

Frequently Asked Questions

What is the IUPAC name of CID 145160326?
The IUPAC name of CID 145160326 (CID 145160326) is not available.
What is the SMILES notation for CID 145160326?
The canonical SMILES for CID 145160326 is [B]OC(=O)CN([B])C(=O)c1ncc(-c2cc(Cl)ccc2C)cc1O[B].
What is the InChIKey of CID 145160326?
The InChIKey is IONBIKZGLOVRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10B3ClN2O4/c1-8-2-3-10(19)5-11(8)9-4-12(24-17)14(20-6-9)15(23)21(16)7-13(22)25-18/h2-6H,7H2,1H3.
What are the key properties of CID 145160326?
CID 145160326 has a molecular weight of 350.14 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145160326 is sourced from PubChem (CID 145160326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).