2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride

C36H43Br4Cl2N11O2 — CID 159803739

IUPAC2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride
SMILESCC(C)/C(Cl)=N/c1cccc(Br)n1.CC(C)C(=O)Cl.CC(C)C(=O)Nc1cccc(Br)n1.CC(C)c1nnnn1-c1cccc(Br)n1.Nc1cccc(Br)n1
InChIInChI=1S/C9H10BrClN2.C9H10BrN5.C9H11BrN2O.C5H5BrN2.C4H7ClO/c1-6(2)9(11)13-8-5-3-4-7(10)12-8;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8;1-6(2)9(13)12-8-5-3-4-7(10)11-8;6-4-2-1-3-5(7)8-4;1-3(2)4(5)6/h3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,11,12,13);1-3H,(H2,7,8);3H,1-2H3/b13-9-;;;;
InChIKeyNKCUSFZVVSFDJU-FEGRSWJESA-N
MW1052.34 g/mol
LogP10.98
Rot. Bonds7

About 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride

2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride (PubChem CID 159803739) has the molecular formula C36H43Br4Cl2N11O2 and a molecular weight of 1052.34 g/mol. Its IUPAC name is 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride
PubChem CID159803739
Molecular FormulaC36H43Br4Cl2N11O2
Molecular Weight1052.34 g/mol
Exact Mass1046.97
IUPAC Name2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride
SMILESCC(C)/C(Cl)=N/c1cccc(Br)n1.CC(C)C(=O)Cl.CC(C)C(=O)Nc1cccc(Br)n1.CC(C)c1nnnn1-c1cccc(Br)n1.Nc1cccc(Br)n1
InChIInChI=1S/C9H10BrClN2.C9H10BrN5.C9H11BrN2O.C5H5BrN2.C4H7ClO/c1-6(2)9(11)13-8-5-3-4-7(10)12-8;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8;1-6(2)9(13)12-8-5-3-4-7(10)11-8;6-4-2-1-3-5(7)8-4;1-3(2)4(5)6/h3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,11,12,13);1-3H,(H2,7,8);3H,1-2H3/b13-9-;;;;
InChIKeyNKCUSFZVVSFDJU-FEGRSWJESA-N
XLogP10.98
TPSA179.71 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001052.34
LogP ≤ 510.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride?
The IUPAC name of 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride (CID 159803739) is 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride.
What is the SMILES notation for 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride?
The canonical SMILES for 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride is CC(C)/C(Cl)=N/c1cccc(Br)n1.CC(C)C(=O)Cl.CC(C)C(=O)Nc1cccc(Br)n1.CC(C)c1nnnn1-c1cccc(Br)n1.Nc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride?
The InChIKey is NKCUSFZVVSFDJU-FEGRSWJESA-N. The full InChI is InChI=1S/C9H10BrClN2.C9H10BrN5.C9H11BrN2O.C5H5BrN2.C4H7ClO/c1-6(2)9(11)13-8-5-3-4-7(10)12-8;1-6(2)9-12-13-14-15(9)8-5-3-4-7(10)11-8;1-6(2)9(13)12-8-5-3-4-7(10)11-8;6-4-2-1-3-5(7)8-4;1-3(2)4(5)6/h3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,11,12,13);1-3H,(H2,7,8);3H,1-2H3/b13-9-;;;;.
What are the key properties of 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride?
2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride has a molecular weight of 1052.34 g/mol, XLogP of 10.98, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(5-propan-2-yltetrazol-1-yl)pyridine;6-bromopyridin-2-amine;N-(6-bromo-2-pyridinyl)-2-methylpropanamide;N-(6-bromo-2-pyridinyl)-2-methylpropanimidoyl chloride;2-methylpropanoyl chloride is sourced from PubChem (CID 159803739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).