methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate

C11H11ClN4O2 — CID 22677253

IUPACmethyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cnn(C)c2)cc(N)c1Cl
InChIInChI=1S/C11H11ClN4O2/c1-16-5-6(4-14-16)8-3-7(13)9(12)10(15-8)11(17)18-2/h3-5H,1-2H3,(H2,13,15)
InChIKeyGSWMAJAUBBLINF-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.50
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate (PubChem CID 22677253) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
PubChem CID22677253
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Namemethyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cnn(C)c2)cc(N)c1Cl
InChIInChI=1S/C11H11ClN4O2/c1-16-5-6(4-14-16)8-3-7(13)9(12)10(15-8)11(17)18-2/h3-5H,1-2H3,(H2,13,15)
InChIKeyGSWMAJAUBBLINF-UHFFFAOYSA-N
XLogP1.50
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate (CID 22677253) is methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cnn(C)c2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate?
The InChIKey is GSWMAJAUBBLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-16-5-6(4-14-16)8-3-7(13)9(12)10(15-8)11(17)18-2/h3-5H,1-2H3,(H2,13,15).
What are the key properties of methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate has a molecular weight of 266.69 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 22677253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).