methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate

C12H10ClN3O2S — CID 114047780

IUPACmethyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H10ClN3O2S/c1-18-12(17)9-4-8(14)6-16-11(9)19-10-3-2-7(13)5-15-10/h2-6H,14H2,1H3
InChIKeySCPBSDNMTUCKJL-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.65
Rot. Bonds3

About methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate

methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate (PubChem CID 114047780) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate
PubChem CID114047780
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Namemethyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H10ClN3O2S/c1-18-12(17)9-4-8(14)6-16-11(9)19-10-3-2-7(13)5-15-10/h2-6H,14H2,1H3
InChIKeySCPBSDNMTUCKJL-UHFFFAOYSA-N
XLogP2.65
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-(3,5-dichlorophenyl)pyridine-3-carboxylate
CID 133086998
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 5-amino-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyridine-3-carboxylate
CID 114234205
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-amino-2-chlorobenzoate
CID 5200412
ethyl 3-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]benzoate
CID 115935992
ethyl 5-[(5-chloro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 116700401
methyl 5-amino-3-chloro-2-(2,6-dichloroanilino)benzoate
CID 107196135
[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]methanol
CID 80650607
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
methyl 5-amino-2-(5-methylpyrimidin-2-yl)sulfanylbenzoate
CID 61382843
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate (CID 114047780) is methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1Sc1ccc(Cl)cn1.
What is the InChIKey of methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate?
The InChIKey is SCPBSDNMTUCKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c1-18-12(17)9-4-8(14)6-16-11(9)19-10-3-2-7(13)5-15-10/h2-6H,14H2,1H3.
What are the key properties of methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate?
methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate has a molecular weight of 295.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-3-carboxylate is sourced from PubChem (CID 114047780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).