methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate

C12H9Cl2N3O2 — CID 91515822

IUPACmethyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ncc(Cl)c(N)c2Cl)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-12(18)8-4-2-3-7(17-8)11-9(14)10(15)6(13)5-16-11/h2-5H,1H3,(H2,15,16)
InChIKeyGPGIUOCNRXAECI-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.82
Rot. Bonds2

About methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate

methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate (PubChem CID 91515822) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate
PubChem CID91515822
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Namemethyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ncc(Cl)c(N)c2Cl)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-19-12(18)8-4-2-3-7(17-8)11-9(14)10(15)6(13)5-16-11/h2-5H,1H3,(H2,15,16)
InChIKeyGPGIUOCNRXAECI-UHFFFAOYSA-N
XLogP2.82
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-Chloropicolinate
CID 820890
Methyl 3-chloropyridine-2-carboxylate
CID 15324396
[2-(2-Chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2999427
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 7351671
[2-[(2-Chloro-3-pyridinyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7866524
4-Chloropyridine-2-carboxylic acid ethyl ester
CID 13015359
Methyl 4-chloropyridine-2-carboxylate--hydrogen chloride (1/1)
CID 16655470
Methyl 4-amino-3-chloropyridine-2-carboxylate
CID 71313191
Methyl 5-amino-3-chloropyridine-2-carboxylate
CID 71651240
Methyl 4,5-dichloropyridine-2-carboxylate
CID 84071064
Methyl 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46394475
Methyl [2,2'-bipyridine]-6-carboxylate
CID 10954896

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate (CID 91515822) is methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate is COC(=O)c1cccc(-c2ncc(Cl)c(N)c2Cl)n1.
What is the InChIKey of methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate?
The InChIKey is GPGIUOCNRXAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-19-12(18)8-4-2-3-7(17-8)11-9(14)10(15)6(13)5-16-11/h2-5H,1H3,(H2,15,16).
What are the key properties of methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate?
methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate has a molecular weight of 298.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-amino-3,5-dichloro-2-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 91515822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).