2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride

C7H8Cl2N2O — CID 88879940

IUPAC2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C7H7ClN2O.ClH/c8-7-2-1-5(4-10-7)6(11)3-9;/h1-2,4H,3,9H2;1H
InChIKeyXMLWFLJSQQVQJY-UHFFFAOYSA-N
MW207.06 g/mol
LogP1.30
Rot. Bonds2

About 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride

2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride (PubChem CID 88879940) has the molecular formula C7H8Cl2N2O and a molecular weight of 207.06 g/mol. Its IUPAC name is 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
PubChem CID88879940
Molecular FormulaC7H8Cl2N2O
Molecular Weight207.06 g/mol
Exact Mass206.00
IUPAC Name2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C7H7ClN2O.ClH/c8-7-2-1-5(4-10-7)6(11)3-9;/h1-2,4H,3,9H2;1H
InChIKeyXMLWFLJSQQVQJY-UHFFFAOYSA-N
XLogP1.30
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
chloromethyl 6-chloropyridine-3-carboxylate
CID 22459863
6-chloropyridine-3-carboxylate
CID 6933309
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
2-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]benzonitrile
CID 24723333
2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
CID 114012626
2-amino-1-(2-methylpyrimidin-5-yl)ethanone
CID 82594840

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride (CID 88879940) is 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride is Cl.NCC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride?
The InChIKey is XMLWFLJSQQVQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O.ClH/c8-7-2-1-5(4-10-7)6(11)3-9;/h1-2,4H,3,9H2;1H.
What are the key properties of 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride?
2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride has a molecular weight of 207.06 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride is sourced from PubChem (CID 88879940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).