6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide

C19H14BClN2O4 — CID 139014775

IUPAC6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)COB2O)c1cccc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14BClN2O4/c21-13-4-7-15(8-5-13)27-18-3-1-2-17(23-18)19(24)22-14-6-9-16-12(10-14)11-26-20(16)25/h1-10,25H,11H2,(H,22,24)
InChIKeyYGMQGMJHUYIGIP-UHFFFAOYSA-N
MW380.60 g/mol
LogP3.00
Rot. Bonds4

About 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide

6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide (PubChem CID 139014775) has the molecular formula C19H14BClN2O4 and a molecular weight of 380.60 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide
PubChem CID139014775
Molecular FormulaC19H14BClN2O4
Molecular Weight380.60 g/mol
Exact Mass380.07
IUPAC Name6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)COB2O)c1cccc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14BClN2O4/c21-13-4-7-15(8-5-13)27-18-3-1-2-17(23-18)19(24)22-14-6-9-16-12(10-14)11-26-20(16)25/h1-10,25H,11H2,(H,22,24)
InChIKeyYGMQGMJHUYIGIP-UHFFFAOYSA-N
XLogP3.00
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)benzamide
CID 46193907
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2,6-dimethoxybenzamide
CID 68567912
6-N-(4-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100888
2-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]-5-(trifluoromethyl)quinoline
CID 157109365
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
2-[[3-cyano-6-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]-2-pyridinyl]oxy]ethyl acetate
CID 67439657
6-N-(3,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100441
N-(4-fluorophenyl)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-2-carboxamide
CID 11222778
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
methyl 6-[4-[[4-(1-adamantyl)phenyl]carbamoyl]phenoxy]pyridine-2-carboxylate
CID 155134704
6-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100953

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide (CID 139014775) is 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)COB2O)c1cccc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide?
The InChIKey is YGMQGMJHUYIGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BClN2O4/c21-13-4-7-15(8-5-13)27-18-3-1-2-17(23-18)19(24)22-14-6-9-16-12(10-14)11-26-20(16)25/h1-10,25H,11H2,(H,22,24).
What are the key properties of 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide?
6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide has a molecular weight of 380.60 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 139014775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).