N-[(6-chloro-3-pyridinyl)methyl]acetamide

C8H9ClN2O — CID 11008612

IUPACN-[(6-chloro-3-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2O/c1-6(12)10-4-7-2-3-8(9)11-5-7/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyPKLYKZAYVXYVQX-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.37
Rot. Bonds2

About N-[(6-chloro-3-pyridinyl)methyl]acetamide

N-[(6-chloro-3-pyridinyl)methyl]acetamide (PubChem CID 11008612) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]acetamide
PubChem CID11008612
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2O/c1-6(12)10-4-7-2-3-8(9)11-5-7/h2-3,5H,4H2,1H3,(H,10,12)
InChIKeyPKLYKZAYVXYVQX-UHFFFAOYSA-N
XLogP1.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]acetamide (CID 11008612) is N-[(6-chloro-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]acetamide is CC(=O)NCc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]acetamide?
The InChIKey is PKLYKZAYVXYVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-6(12)10-4-7-2-3-8(9)11-5-7/h2-3,5H,4H2,1H3,(H,10,12).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]acetamide?
N-[(6-chloro-3-pyridinyl)methyl]acetamide has a molecular weight of 184.63 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 11008612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).