(2-chloro-3-pyridinyl)-trifluoroboranuide

C5H3BClF3N- — CID 71310983

IUPAC(2-chloro-3-pyridinyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cccnc1Cl
InChIInChI=1S/C5H3BClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H/q-1
InChIKeyQHXMYHYPTXMSGG-UHFFFAOYSA-N
MW180.35 g/mol
LogP1.79
Rot. Bonds1

About (2-chloro-3-pyridinyl)-trifluoroboranuide

(2-chloro-3-pyridinyl)-trifluoroboranuide (PubChem CID 71310983) has the molecular formula C5H3BClF3N- and a molecular weight of 180.35 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-trifluoroboranuide
PubChem CID71310983
Molecular FormulaC5H3BClF3N-
Molecular Weight180.35 g/mol
Exact Mass180.00
IUPAC Name(2-chloro-3-pyridinyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1cccnc1Cl
InChIInChI=1S/C5H3BClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H/q-1
InChIKeyQHXMYHYPTXMSGG-UHFFFAOYSA-N
XLogP1.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.35
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-trifluoroboranuide?
The IUPAC name of (2-chloro-3-pyridinyl)-trifluoroboranuide (CID 71310983) is (2-chloro-3-pyridinyl)-trifluoroboranuide.
What is the SMILES notation for (2-chloro-3-pyridinyl)-trifluoroboranuide?
The canonical SMILES for (2-chloro-3-pyridinyl)-trifluoroboranuide is F[B-](F)(F)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-trifluoroboranuide?
The InChIKey is QHXMYHYPTXMSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H/q-1.
What are the key properties of (2-chloro-3-pyridinyl)-trifluoroboranuide?
(2-chloro-3-pyridinyl)-trifluoroboranuide has a molecular weight of 180.35 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-trifluoroboranuide is sourced from PubChem (CID 71310983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).