(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C14H11N3O — CID 102626876

IUPAC(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESNc1cccc(C(=O)c2c[nH]c3ccncc23)c1
InChIInChI=1S/C14H11N3O/c15-10-3-1-2-9(6-10)14(18)12-8-17-13-4-5-16-7-11(12)13/h1-8,17H,15H2
InChIKeyGPQBRKXJHKJXES-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.38
Rot. Bonds2

About (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626876) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626876
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESNc1cccc(C(=O)c2c[nH]c3ccncc23)c1
InChIInChI=1S/C14H11N3O/c15-10-3-1-2-9(6-10)14(18)12-8-17-13-4-5-16-7-11(12)13/h1-8,17H,15H2
InChIKeyGPQBRKXJHKJXES-UHFFFAOYSA-N
XLogP2.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.38
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

(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626921
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(3-bromo-4-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626761
(3-aminophenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428581
1-benzothiophen-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626609
(2-fluoro-6-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626762
1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
(4-fluoro-2-iodophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 114029204
(5-chlorofuran-2-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 106683904
(4-methylthiophen-3-yl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626646
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626876) is (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is Nc1cccc(C(=O)c2c[nH]c3ccncc23)c1.
What is the InChIKey of (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is GPQBRKXJHKJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-10-3-1-2-9(6-10)14(18)12-8-17-13-4-5-16-7-11(12)13/h1-8,17H,15H2.
What are the key properties of (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 237.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).