(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine

C24H28BClN6O2 — CID 160903506

IUPAC(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine
SMILESCc1cc(-c2ccc(CN)cn2)ccn1.Cc1cc(B(O)O)ccn1.NCc1ccc(Cl)nc1
InChIInChI=1S/C12H13N3.C6H8BNO2.C6H7ClN2/c1-9-6-11(4-5-14-9)12-3-2-10(7-13)8-15-12;1-5-4-6(7(9)10)2-3-8-5;7-6-2-1-5(3-8)4-9-6/h2-6,8H,7,13H2,1H3;2-4,9-10H,1H3;1-2,4H,3,8H2
InChIKeySPVAZZRDLYHAAA-UHFFFAOYSA-N
MW478.79 g/mol
LogP2.17
Rot. Bonds4

About (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine

(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine (PubChem CID 160903506) has the molecular formula C24H28BClN6O2 and a molecular weight of 478.79 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine
PubChem CID160903506
Molecular FormulaC24H28BClN6O2
Molecular Weight478.79 g/mol
Exact Mass478.21
IUPAC Name(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine
SMILESCc1cc(-c2ccc(CN)cn2)ccn1.Cc1cc(B(O)O)ccn1.NCc1ccc(Cl)nc1
InChIInChI=1S/C12H13N3.C6H8BNO2.C6H7ClN2/c1-9-6-11(4-5-14-9)12-3-2-10(7-13)8-15-12;1-5-4-6(7(9)10)2-3-8-5;7-6-2-1-5(3-8)4-9-6/h2-6,8H,7,13H2,1H3;2-4,9-10H,1H3;1-2,4H,3,8H2
InChIKeySPVAZZRDLYHAAA-UHFFFAOYSA-N
XLogP2.17
TPSA144.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.79
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

[6-[4-(aminomethyl)phenyl]-3-pyridinyl]boronic acid
CID 150578069
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79234754
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
(2-methyl-4-pyridinyl)methanamine;hydrobromide
CID 133056963
(6-pyrimidin-5-yl-3-pyridinyl)methanamine
CID 91623834
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
[2-(2-aminoethoxy)-4-pyridinyl]boronic acid
CID 71301500
5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
CID 164941096
7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 57413824
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
2-methyl-5-[(6-pyridin-4-yl-3-pyridinyl)methyl]pyridine
CID 139319025

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine?
The IUPAC name of (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine (CID 160903506) is (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine?
The canonical SMILES for (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine is Cc1cc(-c2ccc(CN)cn2)ccn1.Cc1cc(B(O)O)ccn1.NCc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine?
The InChIKey is SPVAZZRDLYHAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.C6H8BNO2.C6H7ClN2/c1-9-6-11(4-5-14-9)12-3-2-10(7-13)8-15-12;1-5-4-6(7(9)10)2-3-8-5;7-6-2-1-5(3-8)4-9-6/h2-6,8H,7,13H2,1H3;2-4,9-10H,1H3;1-2,4H,3,8H2.
What are the key properties of (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine?
(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine has a molecular weight of 478.79 g/mol, XLogP of 2.17, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 160903506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).