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

C15H12ClN3O2 — CID 90450989

IUPACmethyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2)cc(N)c1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)14-13(16)10(17)7-12(19-14)9-3-2-8-4-5-18-11(8)6-9/h2-7,18H,1H3,(H2,17,19)
InChIKeyGTMKDYCGLLQDFV-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.25
Rot. Bonds2

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

methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 90450989) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
PubChem CID90450989
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Namemethyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3cc[nH]c3c2)cc(N)c1Cl
InChIInChI=1S/C15H12ClN3O2/c1-21-15(20)14-13(16)10(17)7-12(19-14)9-3-2-8-4-5-18-11(8)6-9/h2-7,18H,1H3,(H2,17,19)
InChIKeyGTMKDYCGLLQDFV-UHFFFAOYSA-N
XLogP3.25
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate (CID 90450989) is methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc3cc[nH]c3c2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate?
The InChIKey is GTMKDYCGLLQDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-15(20)14-13(16)10(17)7-12(19-14)9-3-2-8-4-5-18-11(8)6-9/h2-7,18H,1H3,(H2,17,19).
What are the key properties of methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate has a molecular weight of 301.73 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90450989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).