(3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine

C14H15BCl3NO2 — CID 158355776

IUPAC(3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine
SMILESCCc1c(Cl)cc(Cl)nc1C.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C8H9Cl2N.C6H6BClO2/c1-3-6-5(2)11-8(10)4-7(6)9;8-6-3-1-2-5(4-6)7(9)10/h4H,3H2,1-2H3;1-4,9-10H
InChIKeyGSVZLHFYPRHMHQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.28
Rot. Bonds2

About (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine

(3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine (PubChem CID 158355776) has the molecular formula C14H15BCl3NO2 and a molecular weight of 346.45 g/mol. Its IUPAC name is (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine.

Molecular Properties

Compound Name(3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine
PubChem CID158355776
Molecular FormulaC14H15BCl3NO2
Molecular Weight346.45 g/mol
Exact Mass345.03
IUPAC Name(3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine
SMILESCCc1c(Cl)cc(Cl)nc1C.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C8H9Cl2N.C6H6BClO2/c1-3-6-5(2)11-8(10)4-7(6)9;8-6-3-1-2-5(4-6)7(9)10/h4H,3H2,1-2H3;1-4,9-10H
InChIKeyGSVZLHFYPRHMHQ-UHFFFAOYSA-N
XLogP3.28
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-2,6-diphenylpyrimidine;(3-chlorophenyl)boronic acid;4-(3-chlorophenyl)-2,6-diphenylpyrimidine
CID 159075593
[3-(3-chlorophenoxy)phenyl]boronic acid
CID 163253662
(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
CID 125451461
4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
CID 82169007
4,6-dichloro-2-methylpyridin-3-ol;ethane
CID 142310785
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-bromophenyl)-4,6-dichloro-1,3,5-triazine;(3-chlorophenyl)boronic acid
CID 157091548
(8-methylnaphthalen-2-yl)boronic acid
CID 118802367
butane;1,3-dichlorobenzene
CID 174455068
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]boronic acid
CID 63456607
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264
[2-[(3-chlorophenyl)methyl]pyrimidin-5-yl]boronic acid
CID 159750594

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine?
The IUPAC name of (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine (CID 158355776) is (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine.
What is the SMILES notation for (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine?
The canonical SMILES for (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine is CCc1c(Cl)cc(Cl)nc1C.OB(O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine?
The InChIKey is GSVZLHFYPRHMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N.C6H6BClO2/c1-3-6-5(2)11-8(10)4-7(6)9;8-6-3-1-2-5(4-6)7(9)10/h4H,3H2,1-2H3;1-4,9-10H.
What are the key properties of (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine?
(3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine has a molecular weight of 346.45 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)boronic acid;4,6-dichloro-3-ethyl-2-methylpyridine is sourced from PubChem (CID 158355776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).