1-pyridin-2-ylethanone;dihydrochloride

C7H9Cl2NO — CID 174550471

IUPAC1-pyridin-2-ylethanone;dihydrochloride
SMILESCC(=O)c1ccccn1.Cl.Cl
InChIInChI=1S/C7H7NO.2ClH/c1-6(9)7-4-2-3-5-8-7;;/h2-5H,1H3;2*1H
InChIKeyXRHSKQZAYDLISS-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.13
Rot. Bonds1

About 1-pyridin-2-ylethanone;dihydrochloride

1-pyridin-2-ylethanone;dihydrochloride (PubChem CID 174550471) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 1-pyridin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-2-ylethanone;dihydrochloride
PubChem CID174550471
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name1-pyridin-2-ylethanone;dihydrochloride
SMILESCC(=O)c1ccccn1.Cl.Cl
InChIInChI=1S/C7H7NO.2ClH/c1-6(9)7-4-2-3-5-8-7;;/h2-5H,1H3;2*1H
InChIKeyXRHSKQZAYDLISS-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-one;1-pyridin-2-ylethanone
CID 158043833
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CID 22757609
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
1-pyridin-2-ylethanone;quinoline
CID 175538468
acetyl bromide;pyridine-2-carboxamide
CID 175817538
phosphanyl(pyridin-2-yl)methanone
CID 89397457
ethane;pyridine-2-carbonyl chloride
CID 158598971
1,7-dihydropurin-6-one;1-pyridin-2-ylethanone
CID 135827974
gadolinium;pyridine-2-carboxylic acid
CID 175231422
ethane;pyridine-2-carbonyl fluoride
CID 161184414
1-pyridin-2-ylbutane-1,3-dione
CID 12707221

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-pyridin-2-ylethanone;dihydrochloride (CID 174550471) is 1-pyridin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-pyridin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-pyridin-2-ylethanone;dihydrochloride is CC(=O)c1ccccn1.Cl.Cl.
What is the InChIKey of 1-pyridin-2-ylethanone;dihydrochloride?
The InChIKey is XRHSKQZAYDLISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.2ClH/c1-6(9)7-4-2-3-5-8-7;;/h2-5H,1H3;2*1H.
What are the key properties of 1-pyridin-2-ylethanone;dihydrochloride?
1-pyridin-2-ylethanone;dihydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 174550471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).