methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate

C8H6ClN3O2 — CID 105465498

IUPACmethyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)c(Cl)cc1N
InChIInChI=1S/C8H6ClN3O2/c1-14-8(13)7-5(11)2-4(9)6(3-10)12-7/h2H,11H2,1H3
InChIKeyHJINHNBHQWTVSA-UHFFFAOYSA-N
MW211.61 g/mol
LogP0.98
Rot. Bonds1

About methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate

methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate (PubChem CID 105465498) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate
PubChem CID105465498
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Namemethyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)c(Cl)cc1N
InChIInChI=1S/C8H6ClN3O2/c1-14-8(13)7-5(11)2-4(9)6(3-10)12-7/h2H,11H2,1H3
InChIKeyHJINHNBHQWTVSA-UHFFFAOYSA-N
XLogP0.98
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-chloro-6-cyano-2-phenylpyridine-3-carboxylate
CID 129097942
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
CID 12625134
methyl 4-amino-6-chloro-5-cyanopyridine-2-carboxylate
CID 58685812
methyl 5-(3-chlorophenyl)-6-cyano-3-hydroxypyridine-2-carboxylate
CID 168937747
methyl 4-amino-1-[(2-chloro-4-cyanophenyl)methyl]pyrazole-3-carboxylate
CID 107344760
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
CID 147920792
CID 147920792
ethane;methyl 3-amino-5-bromo-6-methylpyridine-2-carboxylate
CID 170576528
methyl 4-amino-1-(3-chloro-4-cyanophenyl)pyrazole-3-carboxylate
CID 107346194
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate (CID 105465498) is methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate is COC(=O)c1nc(C#N)c(Cl)cc1N.
What is the InChIKey of methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate?
The InChIKey is HJINHNBHQWTVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-14-8(13)7-5(11)2-4(9)6(3-10)12-7/h2H,11H2,1H3.
What are the key properties of methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate?
methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate has a molecular weight of 211.61 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-chloro-6-cyanopyridine-2-carboxylate is sourced from PubChem (CID 105465498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).