5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine

C14H19BClNO2 — CID 157033362

IUPAC5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
SMILESCC1(C)OB([C@H]2C[C@@H]2c2ccc(Cl)cn2)OC1(C)C
InChIInChI=1S/C14H19BClNO2/c1-13(2)14(3,4)19-15(18-13)11-7-10(11)12-6-5-9(16)8-17-12/h5-6,8,10-11H,7H2,1-4H3/t10-,11-/m0/s1
InChIKeySWFJAPFZQKPCIZ-QWRGUYRKSA-N
MW279.58 g/mol
LogP3.68
Rot. Bonds2

About 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine

5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine (PubChem CID 157033362) has the molecular formula C14H19BClNO2 and a molecular weight of 279.58 g/mol. Its IUPAC name is 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
PubChem CID157033362
Molecular FormulaC14H19BClNO2
Molecular Weight279.58 g/mol
Exact Mass279.12
IUPAC Name5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine
SMILESCC1(C)OB([C@H]2C[C@@H]2c2ccc(Cl)cn2)OC1(C)C
InChIInChI=1S/C14H19BClNO2/c1-13(2)14(3,4)19-15(18-13)11-7-10(11)12-6-5-9(16)8-17-12/h5-6,8,10-11H,7H2,1-4H3/t10-,11-/m0/s1
InChIKeySWFJAPFZQKPCIZ-QWRGUYRKSA-N
XLogP3.68
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.58
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
The IUPAC name of 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine (CID 157033362) is 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
The canonical SMILES for 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine is CC1(C)OB([C@H]2C[C@@H]2c2ccc(Cl)cn2)OC1(C)C.
What is the InChIKey of 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
The InChIKey is SWFJAPFZQKPCIZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19BClNO2/c1-13(2)14(3,4)19-15(18-13)11-7-10(11)12-6-5-9(16)8-17-12/h5-6,8,10-11H,7H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine?
5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine has a molecular weight of 279.58 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]pyridine is sourced from PubChem (CID 157033362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).