1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one

C9H10ClNO — CID 83876335

IUPAC1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1nc(C)ccc1Cl
InChIInChI=1S/C9H10ClNO/c1-6-3-4-8(10)9(11-6)5-7(2)12/h3-4H,5H2,1-2H3
InChIKeyABWVBVZWPKFCFZ-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.17
Rot. Bonds2

About 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one

1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one (PubChem CID 83876335) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one
PubChem CID83876335
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1nc(C)ccc1Cl
InChIInChI=1S/C9H10ClNO/c1-6-3-4-8(10)9(11-6)5-7(2)12/h3-4H,5H2,1-2H3
InChIKeyABWVBVZWPKFCFZ-UHFFFAOYSA-N
XLogP2.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one (CID 83876335) is 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one is CC(=O)Cc1nc(C)ccc1Cl.
What is the InChIKey of 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one?
The InChIKey is ABWVBVZWPKFCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-3-4-8(10)9(11-6)5-7(2)12/h3-4H,5H2,1-2H3.
What are the key properties of 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one?
1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one has a molecular weight of 183.64 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 83876335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).