CID 170638062

C5H2BClFN — CID 170638062

IUPAC—
SMILES[B]c1cc(Cl)cnc1F
InChIInChI=1S/C5H2BClFN/c6-4-1-3(7)2-9-5(4)8/h1-2H
InChIKeyCJOKXOXXOTYMAE-UHFFFAOYSA-N
MW141.34 g/mol
LogP0.67
Rot. Bonds

About CID 170638062

CID 170638062 (PubChem CID 170638062) has the molecular formula C5H2BClFN and a molecular weight of 141.34 g/mol.

Molecular Properties

Compound NameCID 170638062
PubChem CID170638062
Molecular FormulaC5H2BClFN
Molecular Weight141.34 g/mol
Exact Mass141.00
IUPAC Name—
SMILES[B]c1cc(Cl)cnc1F
InChIInChI=1S/C5H2BClFN/c6-4-1-3(7)2-9-5(4)8/h1-2H
InChIKeyCJOKXOXXOTYMAE-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 144982231
CID 144982231
(5-chloro-2-fluoro-3-pyridinyl)-trimethylsilane
CID 164890893
5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine
CID 165477598
(1S)-1-(5-chloro-2-fluoro-3-pyridinyl)ethanamine
CID 130907422
5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
CID 169477081
(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
CID 55271248
3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453090
(5-chloro-2-fluoro-3-pyridinyl)imino-dimethyl-oxo-λ6-sulfane
CID 172898682
3-chloro-5-fluoropyridine;hydrochloride
CID 133097839
4-(5-chloro-2-fluoro-3-pyridinyl)-1-oxothian-4-ol
CID 166125131
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
5-(3,5-dichlorophenyl)-2,3-difluoropyridine
CID 133090630

Frequently Asked Questions

What is the IUPAC name of CID 170638062?
The IUPAC name of CID 170638062 (CID 170638062) is not available.
What is the SMILES notation for CID 170638062?
The canonical SMILES for CID 170638062 is [B]c1cc(Cl)cnc1F.
What is the InChIKey of CID 170638062?
The InChIKey is CJOKXOXXOTYMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BClFN/c6-4-1-3(7)2-9-5(4)8/h1-2H.
What are the key properties of CID 170638062?
CID 170638062 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 170638062 is sourced from PubChem (CID 170638062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).