CID 172631320

C6H3BFNO2 — CID 172631320

IUPAC—
SMILES[B]c1cnc(F)c(C(=O)O)c1
InChIInChI=1S/C6H3BFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKeyHKNULADFEYCSFG-UHFFFAOYSA-N
MW150.91 g/mol
LogP-0.29
Rot. Bonds1

About CID 172631320

CID 172631320 (PubChem CID 172631320) has the molecular formula C6H3BFNO2 and a molecular weight of 150.91 g/mol.

Molecular Properties

Compound NameCID 172631320
PubChem CID172631320
Molecular FormulaC6H3BFNO2
Molecular Weight150.91 g/mol
Exact Mass151.02
IUPAC Name—
SMILES[B]c1cnc(F)c(C(=O)O)c1
InChIInChI=1S/C6H3BFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKeyHKNULADFEYCSFG-UHFFFAOYSA-N
XLogP-0.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.91
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 174020982
CID 174020982
5-ethynyl-2-fluoropyridine-3-carboxylic acid
CID 74892269
2-fluoro-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 46315833
CID 88981850
CID 88981850
CID 89283544
CID 89283544
5-(3-chloroprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
CID 169477696
5-(3-aminoprop-1-enyl)-2-fluoropyridine-3-carboxylic acid
CID 169463907
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
5-(4-amino-4-oxobut-1-ynyl)-2-fluoropyridine-3-carboxylic acid
CID 170473449
CID 175631289
CID 175631289
5-bromo-2-fluoropyridine-3-carbonyl fluoride
CID 169030811
2-amino-4-fluoropyrimidine-5-carboxylic acid
CID 90011731

Frequently Asked Questions

What is the IUPAC name of CID 172631320?
The IUPAC name of CID 172631320 (CID 172631320) is not available.
What is the SMILES notation for CID 172631320?
The canonical SMILES for CID 172631320 is [B]c1cnc(F)c(C(=O)O)c1.
What is the InChIKey of CID 172631320?
The InChIKey is HKNULADFEYCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11).
What are the key properties of CID 172631320?
CID 172631320 has a molecular weight of 150.91 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172631320 is sourced from PubChem (CID 172631320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).