5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine

C18H26BBrN4O2 — CID 167607695

IUPAC5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1Br.Cc1nc(N)ccc1C1CC1.OB(O)C1CC1
InChIInChI=1S/C9H12N2.C6H7BrN2.C3H7BO2/c1-6-8(7-2-3-7)4-5-9(10)11-6;1-4-5(7)2-3-6(8)9-4;5-4(6)3-1-2-3/h4-5,7H,2-3H2,1H3,(H2,10,11);2-3H,1H3,(H2,8,9);3,5-6H,1-2H2
InChIKeyKPNCNSLNSDXJEA-UHFFFAOYSA-N
MW421.15 g/mol
LogP3.21
Rot. Bonds2

About 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine

5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine (PubChem CID 167607695) has the molecular formula C18H26BBrN4O2 and a molecular weight of 421.15 g/mol. Its IUPAC name is 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine
PubChem CID167607695
Molecular FormulaC18H26BBrN4O2
Molecular Weight421.15 g/mol
Exact Mass420.13
IUPAC Name5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine
SMILESCc1nc(N)ccc1Br.Cc1nc(N)ccc1C1CC1.OB(O)C1CC1
InChIInChI=1S/C9H12N2.C6H7BrN2.C3H7BO2/c1-6-8(7-2-3-7)4-5-9(10)11-6;1-4-5(7)2-3-6(8)9-4;5-4(6)3-1-2-3/h4-5,7H,2-3H2,1H3,(H2,10,11);2-3H,1H3,(H2,8,9);3,5-6H,1-2H2
InChIKeyKPNCNSLNSDXJEA-UHFFFAOYSA-N
XLogP3.21
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.15
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-Bromo-5-(2,6-dimethyl-4-pyridinyl)-6-(3-fluorophenyl)pyridin-2-amine
CID 176706144
5-Bromo-6-(1,2-diphenylethyl)pyridin-2-amine
CID 11631702
3-Bromo-6-(1,2-diphenylethyl)pyridin-2-amine
CID 11681875
5-Bromo-6-(2-ethylphenyl)pyridin-2-amine
CID 156367607
6-bromo-4-methylpyridin-2-amine;4-methyl-6-[(E)-prop-1-enyl]pyridin-2-amine
CID 157604190
6-Bromopyridin-2-amine;6-propan-2-ylpyridin-2-amine
CID 157891702
5-bromo-6-methylpyridin-2-amine;N,N,6-trimethyl-5-oxoboranylpyridin-2-amine
CID 158047700
6-Methyl-5-propan-2-ylpyridin-2-amine
CID 158818971
5-Bromo-6-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159081957
5-Bromo-3-cyclopropylpyridin-2-amine;3-cyclopropylpyridin-2-amine
CID 159139263
5-Bromo-4,6-dimethylpyridin-2-amine;3-bromo-6-fluoro-2,4-dimethylpyridine
CID 160037943
5-Bromo-6-methylpyridin-2-amine;6-methyl-5-(2-phenylethenyl)pyridin-2-amine
CID 160497584

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine?
The IUPAC name of 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine (CID 167607695) is 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine is Cc1nc(N)ccc1Br.Cc1nc(N)ccc1C1CC1.OB(O)C1CC1.
What is the InChIKey of 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine?
The InChIKey is KPNCNSLNSDXJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C6H7BrN2.C3H7BO2/c1-6-8(7-2-3-7)4-5-9(10)11-6;1-4-5(7)2-3-6(8)9-4;5-4(6)3-1-2-3/h4-5,7H,2-3H2,1H3,(H2,10,11);2-3H,1H3,(H2,8,9);3,5-6H,1-2H2.
What are the key properties of 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine?
5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine has a molecular weight of 421.15 g/mol, XLogP of 3.21, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine is sourced from PubChem (CID 167607695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).