CID 145160317

C14H9B2FN2O4 — CID 145160317

IUPAC—
SMILES[B]C([B])(NC(=O)c1ncc(-c2cccc(F)c2)cc1O)C(=O)O
InChIInChI=1S/C14H9B2FN2O4/c15-14(16,13(22)23)19-12(21)11-10(20)5-8(6-18-11)7-2-1-3-9(17)4-7/h1-6,20H,(H,19,21)(H,22,23)
InChIKeyGWLPJAMTXNTVIN-UHFFFAOYSA-N
MW309.86 g/mol
LogP0.40
Rot. Bonds4

About CID 145160317

CID 145160317 (PubChem CID 145160317) has the molecular formula C14H9B2FN2O4 and a molecular weight of 309.86 g/mol.

Molecular Properties

Compound NameCID 145160317
PubChem CID145160317
Molecular FormulaC14H9B2FN2O4
Molecular Weight309.86 g/mol
Exact Mass310.07
IUPAC Name—
SMILES[B]C([B])(NC(=O)c1ncc(-c2cccc(F)c2)cc1O)C(=O)O
InChIInChI=1S/C14H9B2FN2O4/c15-14(16,13(22)23)19-12(21)11-10(20)5-8(6-18-11)7-2-1-3-9(17)4-7/h1-6,20H,(H,19,21)(H,22,23)
InChIKeyGWLPJAMTXNTVIN-UHFFFAOYSA-N
XLogP0.40
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
CID 71143239
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
2-[[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]amino]acetic acid
CID 71086645
2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 140848116
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172856144
2-[bis(2-hydroxyethyl)amino]ethanol;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172862946

Frequently Asked Questions

What is the IUPAC name of CID 145160317?
The IUPAC name of CID 145160317 (CID 145160317) is not available.
What is the SMILES notation for CID 145160317?
The canonical SMILES for CID 145160317 is [B]C([B])(NC(=O)c1ncc(-c2cccc(F)c2)cc1O)C(=O)O.
What is the InChIKey of CID 145160317?
The InChIKey is GWLPJAMTXNTVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9B2FN2O4/c15-14(16,13(22)23)19-12(21)11-10(20)5-8(6-18-11)7-2-1-3-9(17)4-7/h1-6,20H,(H,19,21)(H,22,23).
What are the key properties of CID 145160317?
CID 145160317 has a molecular weight of 309.86 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145160317 is sourced from PubChem (CID 145160317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).