5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid

C10H10ClNO3 — CID 84725957

IUPAC5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C2CC2)cc(Cl)c1=O
InChIInChI=1S/C10H10ClNO3/c1-12-8(10(14)15)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyKRCYHUZHJNVXIX-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.61
Rot. Bonds2

About 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid

5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84725957) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84725957
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C2CC2)cc(Cl)c1=O
InChIInChI=1S/C10H10ClNO3/c1-12-8(10(14)15)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyKRCYHUZHJNVXIX-UHFFFAOYSA-N
XLogP1.61
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84729312
1-Ethyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 146424734
3-Cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84719962
1-Methyl-6-oxo-3-propylpyridine-2-carboxylic acid
CID 84720420
1-Methyl-6-oxo-3-propan-2-ylpyridine-2-carboxylic acid
CID 84720421
5-Chloro-1,3-dimethyl-6-oxopyridine-2-carboxylic acid
CID 84721383
5-Amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84722624
1-Methyl-3-(2-methylpropyl)-6-oxopyridine-2-carboxylic acid
CID 84722819
5-chloro-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 84723555
5-chloro-6-oxo-3-propyl-1H-pyridine-2-carboxylic acid
CID 84723803
5-chloro-6-oxo-3-propan-2-yl-1H-pyridine-2-carboxylic acid
CID 84723804
5-Chloro-3-ethyl-1-methyl-6-oxopyridine-2-carboxylic acid
CID 84723805

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84725957) is 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid is Cn1c(C(=O)O)c(C2CC2)cc(Cl)c1=O.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is KRCYHUZHJNVXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-12-8(10(14)15)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84725957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).