2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide

C10H16BrNO — CID 175461218

IUPAC2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide
SMILESBr.CC(C)(C)C(=O)N1C=CC=CC1
InChIInChI=1S/C10H15NO.BrH/c1-10(2,3)9(12)11-7-5-4-6-8-11;/h4-7H,8H2,1-3H3;1H
InChIKeyZDPSMDVUYPKLML-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.52
Rot. Bonds

About 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide

2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide (PubChem CID 175461218) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide.

Molecular Properties

Compound Name2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide
PubChem CID175461218
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide
SMILESBr.CC(C)(C)C(=O)N1C=CC=CC1
InChIInChI=1S/C10H15NO.BrH/c1-10(2,3)9(12)11-7-5-4-6-8-11;/h4-7H,8H2,1-3H3;1H
InChIKeyZDPSMDVUYPKLML-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide?
The IUPAC name of 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide (CID 175461218) is 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide.
What is the SMILES notation for 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide?
The canonical SMILES for 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide is Br.CC(C)(C)C(=O)N1C=CC=CC1.
What is the InChIKey of 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide?
The InChIKey is ZDPSMDVUYPKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.BrH/c1-10(2,3)9(12)11-7-5-4-6-8-11;/h4-7H,8H2,1-3H3;1H.
What are the key properties of 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide?
2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide has a molecular weight of 246.15 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide is sourced from PubChem (CID 175461218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).