4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine

C16H16BClN2O3 — CID 140829386

IUPAC4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine
SMILESOB1OCc2cc(Cl)c(-c3ccc(N4CCOCC4)nc3)cc21
InChIInChI=1S/C16H16BClN2O3/c18-15-7-12-10-23-17(21)14(12)8-13(15)11-1-2-16(19-9-11)20-3-5-22-6-4-20/h1-2,7-9,21H,3-6,10H2
InChIKeyHRKSCJZUCUQRLV-UHFFFAOYSA-N
MW330.58 g/mol
LogP1.46
Rot. Bonds2

About 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine

4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine (PubChem CID 140829386) has the molecular formula C16H16BClN2O3 and a molecular weight of 330.58 g/mol. Its IUPAC name is 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine
PubChem CID140829386
Molecular FormulaC16H16BClN2O3
Molecular Weight330.58 g/mol
Exact Mass330.09
IUPAC Name4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine
SMILESOB1OCc2cc(Cl)c(-c3ccc(N4CCOCC4)nc3)cc21
InChIInChI=1S/C16H16BClN2O3/c18-15-7-12-10-23-17(21)14(12)8-13(15)11-1-2-16(19-9-11)20-3-5-22-6-4-20/h1-2,7-9,21H,3-6,10H2
InChIKeyHRKSCJZUCUQRLV-UHFFFAOYSA-N
XLogP1.46
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-1-methylpyrrole
CID 140829402
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
CID 172626752
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
6-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-amine
CID 117085161
4-[5-[4-[(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidin-1-yl]phenyl]-2-pyridinyl]morpholine
CID 126658316
6-morpholin-4-ylpyridine-3-thiol
CID 123169519
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996415
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine (CID 140829386) is 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine is OB1OCc2cc(Cl)c(-c3ccc(N4CCOCC4)nc3)cc21.
What is the InChIKey of 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine?
The InChIKey is HRKSCJZUCUQRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BClN2O3/c18-15-7-12-10-23-17(21)14(12)8-13(15)11-1-2-16(19-9-11)20-3-5-22-6-4-20/h1-2,7-9,21H,3-6,10H2.
What are the key properties of 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine?
4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine has a molecular weight of 330.58 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 140829386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).