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

C7H9ClN2O — CID 599103

IUPAC3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(Cl)c(=O)c1N
InChIInChI=1S/C7H9ClN2O/c1-3-5(8)7(11)6(9)4(2)10-3/h9H2,1-2H3,(H,10,11)
InChIKeyIEKMEKMQGNFUIW-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.23
Rot. Bonds

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

3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 599103) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one
PubChem CID599103
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(Cl)c(=O)c1N
InChIInChI=1S/C7H9ClN2O/c1-3-5(8)7(11)6(9)4(2)10-3/h9H2,1-2H3,(H,10,11)
InChIKeyIEKMEKMQGNFUIW-UHFFFAOYSA-N
XLogP1.23
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one (CID 599103) is 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(Cl)c(=O)c1N.
What is the InChIKey of 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is IEKMEKMQGNFUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-3-5(8)7(11)6(9)4(2)10-3/h9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one?
3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 172.61 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 599103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).