methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate

C12H10ClN3O2 — CID 22677455

IUPACmethyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccn2)cc(N)c1Cl
InChIInChI=1S/C12H10ClN3O2/c1-18-12(17)11-10(13)7(14)6-9(16-11)8-4-2-3-5-15-8/h2-6H,1H3,(H2,14,16)
InChIKeyCSMKWOILAIDYLM-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.17
Rot. Bonds2

About methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate

methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate (PubChem CID 22677455) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate
PubChem CID22677455
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Namemethyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccccn2)cc(N)c1Cl
InChIInChI=1S/C12H10ClN3O2/c1-18-12(17)11-10(13)7(14)6-9(16-11)8-4-2-3-5-15-8/h2-6H,1H3,(H2,14,16)
InChIKeyCSMKWOILAIDYLM-UHFFFAOYSA-N
XLogP2.17
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate (CID 22677455) is methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate is COC(=O)c1nc(-c2ccccn2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate?
The InChIKey is CSMKWOILAIDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-18-12(17)11-10(13)7(14)6-9(16-11)8-4-2-3-5-15-8/h2-6H,1H3,(H2,14,16).
What are the key properties of methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-pyridin-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 22677455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).