1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone

C11H9ClN2OS — CID 116605238

IUPAC1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESNc1ccc(C(=O)Cc2ccc(Cl)s2)nc1
InChIInChI=1S/C11H9ClN2OS/c12-11-4-2-8(16-11)5-10(15)9-3-1-7(13)6-14-9/h1-4,6H,5,13H2
InChIKeyBIEROJHLJBPDAJ-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.80
Rot. Bonds3

About 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone

1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone (PubChem CID 116605238) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone
PubChem CID116605238
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESNc1ccc(C(=O)Cc2ccc(Cl)s2)nc1
InChIInChI=1S/C11H9ClN2OS/c12-11-4-2-8(16-11)5-10(15)9-3-1-7(13)6-14-9/h1-4,6H,5,13H2
InChIKeyBIEROJHLJBPDAJ-UHFFFAOYSA-N
XLogP2.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]pyrimidin-5-amine
CID 82287684
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone
CID 116605271
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967512
1-(3-chlorothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967489
2-(5-chlorothiophen-2-yl)-1-quinolin-8-ylethanone
CID 105089007
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone
CID 103447988
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 55096306
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
1-(3-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 62620401

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone (CID 116605238) is 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone is Nc1ccc(C(=O)Cc2ccc(Cl)s2)nc1.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is BIEROJHLJBPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-11-4-2-8(16-11)5-10(15)9-3-1-7(13)6-14-9/h1-4,6H,5,13H2.
What are the key properties of 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone?
1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 252.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-2-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 116605238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).