methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

C9H9N3O2 — CID 46942072

IUPACmethyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]c2cnccc2c1N
InChIInChI=1S/C9H9N3O2/c1-14-9(13)8-7(10)5-2-3-11-4-6(5)12-8/h2-4,12H,10H2,1H3
InChIKeyQCECYPBTAHSFEJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.93
Rot. Bonds1

About methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate

methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 46942072) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID46942072
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]c2cnccc2c1N
InChIInChI=1S/C9H9N3O2/c1-14-9(13)8-7(10)5-2-3-11-4-6(5)12-8/h2-4,12H,10H2,1H3
InChIKeyQCECYPBTAHSFEJ-UHFFFAOYSA-N
XLogP0.93
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-6-methyl-1H-indole-2-carboxylate
CID 4777916
methyl 3-amino-4-chloro-1H-indole-2-carboxylate
CID 4777731
6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine
CID 21362743
methyl N-(1H-pyrazolo[5,4-c]pyridin-3-yl)carbamate
CID 141390172
methyl 5-acetylisoquinoline-8-carboxylate
CID 146443452
methyl 8-methylisoquinoline-5-carboxylate
CID 82574567
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445324
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 170687412
methyl 4-methylpyridine-3-carboxylate
CID 10877301
3-amino-6-methoxy-1H-indole-2-carbohydrazide;hydrochloride
CID 112756295

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate (CID 46942072) is methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is COC(=O)c1[nH]c2cnccc2c1N.
What is the InChIKey of methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is QCECYPBTAHSFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)8-7(10)5-2-3-11-4-6(5)12-8/h2-4,12H,10H2,1H3.
What are the key properties of methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate?
methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1H-pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 46942072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).