4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline

C14H13N3O — CID 167525947

IUPAC4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline
SMILESCOc1ncc(-c2ccc(N)cc2)c2cc[nH]c12
InChIInChI=1S/C14H13N3O/c1-18-14-13-11(6-7-16-13)12(8-17-14)9-2-4-10(15)5-3-9/h2-8,16H,15H2,1H3
InChIKeyACFDRLFJXYLLER-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.82
Rot. Bonds2

About 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline

4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline (PubChem CID 167525947) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline.

Molecular Properties

Compound Name4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline
PubChem CID167525947
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline
SMILESCOc1ncc(-c2ccc(N)cc2)c2cc[nH]c12
InChIInChI=1S/C14H13N3O/c1-18-14-13-11(6-7-16-13)12(8-17-14)9-2-4-10(15)5-3-9/h2-8,16H,15H2,1H3
InChIKeyACFDRLFJXYLLER-UHFFFAOYSA-N
XLogP2.82
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)pyridin-2-amine
CID 167774234
4-(4-aminophenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334596
5-(4-fluorophenyl)-6-methoxypyridin-3-amine
CID 46311843
4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine
CID 117328786
4-methoxy-7-prop-2-enoxy-1H-pyrrolo[2,3-c]pyridine
CID 119086213
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127
4-(4-aminophenyl)-2,3-dimethoxyaniline;hydrochloride
CID 174602053
7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53399660
4-methoxy-2-methyl-5-(4-propan-2-ylphenyl)pyrimidine
CID 157209646
5-methoxy-7-methyl-4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 169298236
4-(4-aminophenyl)-2,3,5,6-tetramethoxyaniline
CID 87574651
3-methoxy-4H-furo[3,2-b]pyrrol-2-amine
CID 69292246

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline?
The IUPAC name of 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline (CID 167525947) is 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline.
What is the SMILES notation for 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline?
The canonical SMILES for 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline is COc1ncc(-c2ccc(N)cc2)c2cc[nH]c12.
What is the InChIKey of 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline?
The InChIKey is ACFDRLFJXYLLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-14-13-11(6-7-16-13)12(8-17-14)9-2-4-10(15)5-3-9/h2-8,16H,15H2,1H3.
What are the key properties of 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline?
4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline has a molecular weight of 239.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline is sourced from PubChem (CID 167525947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).