4-chloro-3,5,6-trimethyl-1H-pyridin-2-one

C8H10ClNO — CID 2786712

IUPAC4-chloro-3,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)c(Cl)c1C
InChIInChI=1S/C8H10ClNO/c1-4-6(3)10-8(11)5(2)7(4)9/h1-3H3,(H,10,11)
InChIKeyBTHUHLGZYGIIQJ-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.95
Rot. Bonds

About 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one

4-chloro-3,5,6-trimethyl-1H-pyridin-2-one (PubChem CID 2786712) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-3,5,6-trimethyl-1H-pyridin-2-one
PubChem CID2786712
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-chloro-3,5,6-trimethyl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)c(Cl)c1C
InChIInChI=1S/C8H10ClNO/c1-4-6(3)10-8(11)5(2)7(4)9/h1-3H3,(H,10,11)
InChIKeyBTHUHLGZYGIIQJ-UHFFFAOYSA-N
XLogP1.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one (CID 2786712) is 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one is Cc1[nH]c(=O)c(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one?
The InChIKey is BTHUHLGZYGIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-4-6(3)10-8(11)5(2)7(4)9/h1-3H3,(H,10,11).
What are the key properties of 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one?
4-chloro-3,5,6-trimethyl-1H-pyridin-2-one has a molecular weight of 171.63 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5,6-trimethyl-1H-pyridin-2-one is sourced from PubChem (CID 2786712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).