N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide

C12H10ClN3O — CID 90094997

IUPACN-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccnc2Cl)cn1
InChIInChI=1S/C12H10ClN3O/c1-8(17)16-11-5-4-9(7-15-11)10-3-2-6-14-12(10)13/h2-7H,1H3,(H,15,16,17)
InChIKeyOBBWRHCKNWTVRE-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.76
Rot. Bonds2

About N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide

N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 90094997) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID90094997
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cccnc2Cl)cn1
InChIInChI=1S/C12H10ClN3O/c1-8(17)16-11-5-4-9(7-15-11)10-3-2-6-14-12(10)13/h2-7H,1H3,(H,15,16,17)
InChIKeyOBBWRHCKNWTVRE-UHFFFAOYSA-N
XLogP2.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.76
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

N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
ethane;N-[5-(4-methylphenyl)-2-pyridinyl]acetamide;molecular hydrogen
CID 145105834
2-chloro-3-(4-ethylphenyl)pyridine
CID 82079165
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
2-acetamido-N-[5-(2-fluorophenyl)-2-pyridinyl]acetamide
CID 141044330
2-[4-[4-(2-chloro-3-pyridinyl)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 166398691
2-chloro-3-(4-propan-2-ylphenyl)pyridine
CID 82082322
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-(5-sulfanyl-2-pyridinyl)acetamide
CID 67482224

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide (CID 90094997) is N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cccnc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is OBBWRHCKNWTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8(17)16-11-5-4-9(7-15-11)10-3-2-6-14-12(10)13/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide?
N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 247.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90094997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).