CID 145160293

C15H11B2ClN2O4 — CID 145160293

IUPAC—
SMILES[B]Oc1cc(-c2cc(Cl)ccc2C)cnc1C(=O)N([B])CC(=O)O
InChIInChI=1S/C15H11B2ClN2O4/c1-8-2-3-10(18)5-11(8)9-4-12(24-17)14(19-6-9)15(23)20(16)7-13(21)22/h2-6H,7H2,1H3,(H,21,22)
InChIKeyDIUKJJBALKATBZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.78
Rot. Bonds5

About CID 145160293

CID 145160293 (PubChem CID 145160293) has the molecular formula C15H11B2ClN2O4 and a molecular weight of 340.34 g/mol.

Molecular Properties

Compound NameCID 145160293
PubChem CID145160293
Molecular FormulaC15H11B2ClN2O4
Molecular Weight340.34 g/mol
Exact Mass340.06
IUPAC Name—
SMILES[B]Oc1cc(-c2cc(Cl)ccc2C)cnc1C(=O)N([B])CC(=O)O
InChIInChI=1S/C15H11B2ClN2O4/c1-8-2-3-10(18)5-11(8)9-4-12(24-17)14(19-6-9)15(23)20(16)7-13(21)22/h2-6H,7H2,1H3,(H,21,22)
InChIKeyDIUKJJBALKATBZ-UHFFFAOYSA-N
XLogP1.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.78
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

CID 145160326
CID 145160326
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
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
5-(5-chloro-2-hydroxyphenyl)-3-hydroxypyridine-2-carboxylic acid;ethane
CID 142369382
2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
CID 83560488
2-[(4-chloro-2-methylphenoxy)carbonyl-methylamino]acetic acid
CID 116819583
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
4-[5-(3-chloro-2,4,5-trideuterio-6-methylphenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 158756644
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
2-[5-(2,4-dichlorophenyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 133093077

Frequently Asked Questions

What is the IUPAC name of CID 145160293?
The IUPAC name of CID 145160293 (CID 145160293) is not available.
What is the SMILES notation for CID 145160293?
The canonical SMILES for CID 145160293 is [B]Oc1cc(-c2cc(Cl)ccc2C)cnc1C(=O)N([B])CC(=O)O.
What is the InChIKey of CID 145160293?
The InChIKey is DIUKJJBALKATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11B2ClN2O4/c1-8-2-3-10(18)5-11(8)9-4-12(24-17)14(19-6-9)15(23)20(16)7-13(21)22/h2-6H,7H2,1H3,(H,21,22).
What are the key properties of CID 145160293?
CID 145160293 has a molecular weight of 340.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145160293 is sourced from PubChem (CID 145160293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).