4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid

C8H9ClN2O2 — CID 123682636

IUPAC4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(Cl)c(N)c1C
InChIInChI=1S/C8H9ClN2O2/c1-3-4(2)11-7(8(12)13)5(9)6(3)10/h1-2H3,(H2,10,11)(H,12,13)
InChIKeyMCGLSYXUTWUKPQ-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.63
Rot. Bonds1

About 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid

4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid (PubChem CID 123682636) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid
PubChem CID123682636
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(Cl)c(N)c1C
InChIInChI=1S/C8H9ClN2O2/c1-3-4(2)11-7(8(12)13)5(9)6(3)10/h1-2H3,(H2,10,11)(H,12,13)
InChIKeyMCGLSYXUTWUKPQ-UHFFFAOYSA-N
XLogP1.63
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid (CID 123682636) is 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)c(Cl)c(N)c1C.
What is the InChIKey of 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid?
The InChIKey is MCGLSYXUTWUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-3-4(2)11-7(8(12)13)5(9)6(3)10/h1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid?
4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid has a molecular weight of 200.62 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5,6-dimethylpyridine-2-carboxylic acid is sourced from PubChem (CID 123682636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).