CID 170756452

C5H2BClFN — CID 170756452

IUPAC—
SMILES[B]c1ccc(F)c(Cl)n1
InChIInChI=1S/C5H2BClFN/c6-4-2-1-3(8)5(7)9-4/h1-2H
InChIKeyKHPBIPKBJIUKTO-UHFFFAOYSA-N
MW141.34 g/mol
LogP0.67
Rot. Bonds

About CID 170756452

CID 170756452 (PubChem CID 170756452) has the molecular formula C5H2BClFN and a molecular weight of 141.34 g/mol.

Molecular Properties

Compound NameCID 170756452
PubChem CID170756452
Molecular FormulaC5H2BClFN
Molecular Weight141.34 g/mol
Exact Mass141.00
IUPAC Name—
SMILES[B]c1ccc(F)c(Cl)n1
InChIInChI=1S/C5H2BClFN/c6-4-2-1-3(8)5(7)9-4/h1-2H
InChIKeyKHPBIPKBJIUKTO-UHFFFAOYSA-N
XLogP0.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 89343940
CID 89343940
6-chloro-5-fluoropyridine-2-carboxamide
CID 131442964
2-chloro-3-fluoro-6-nitropyridine
CID 119018246
2-chloro-3-fluoro-6-pyridin-2-ylpyridine
CID 175788383
CID 171817518
CID 171817518
6-chloro-5-fluoropyridine-2-carbohydrazide
CID 151281467
2,3,5-trichloro-8-fluoroquinoxaline
CID 154727490
1-chloropentane;2,6-dichloro-3-fluoropyridine
CID 174607931
6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide
CID 167708209
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
2,3-dichloro-5,6-difluoroquinoxaline
CID 87294092
4-chloro-2-fluorophenolate
CID 154609677

Frequently Asked Questions

What is the IUPAC name of CID 170756452?
The IUPAC name of CID 170756452 (CID 170756452) is not available.
What is the SMILES notation for CID 170756452?
The canonical SMILES for CID 170756452 is [B]c1ccc(F)c(Cl)n1.
What is the InChIKey of CID 170756452?
The InChIKey is KHPBIPKBJIUKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BClFN/c6-4-2-1-3(8)5(7)9-4/h1-2H.
What are the key properties of CID 170756452?
CID 170756452 has a molecular weight of 141.34 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170756452 is sourced from PubChem (CID 170756452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).