N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C18H22BClN2O2 — CID 170546795

IUPACN-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C18H22BClN2O2/c1-12-10-11-13(19-23-17(2,3)18(4,5)24-19)16(21-12)22-15-9-7-6-8-14(15)20/h6-11H,1-5H3,(H,21,22)
InChIKeyLTHBKDIRJUVRIW-UHFFFAOYSA-N
MW344.65 g/mol
LogP4.09
Rot. Bonds3

About N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 170546795) has the molecular formula C18H22BClN2O2 and a molecular weight of 344.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID170546795
Molecular FormulaC18H22BClN2O2
Molecular Weight344.65 g/mol
Exact Mass344.15
IUPAC NameN-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C18H22BClN2O2/c1-12-10-11-13(19-23-17(2,3)18(4,5)24-19)16(21-12)22-15-9-7-6-8-14(15)20/h6-11H,1-5H3,(H,21,22)
InChIKeyLTHBKDIRJUVRIW-UHFFFAOYSA-N
XLogP4.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.65
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 170546791
N-(2-chlorophenyl)-6-methylpyridin-2-amine
CID 119089748
5-bromo-4-N-(2-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 121006304
4-(2-chloroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 28905557
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601
5-N-(2-chlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 154629495
methyl 5-[2-(2-chloroanilino)-6-methyl-3-pyridinyl]-1-methylimidazole-4-carboxylate
CID 164562766
2-(2,3-dichloroanilino)-6-methylpyridine-3-carbothioamide
CID 55224619
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
5-bromo-2-methylquinoline;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 160674054
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283
(2-chlorophenyl)-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]methanone
CID 91901647

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 170546795) is N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is LTHBKDIRJUVRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BClN2O2/c1-12-10-11-13(19-23-17(2,3)18(4,5)24-19)16(21-12)22-15-9-7-6-8-14(15)20/h6-11H,1-5H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 344.65 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 170546795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).