(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C14H10ClN3O — CID 115512791

IUPAC(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNc1ccccc1C(=O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C14H10ClN3O/c15-10-5-6-17-14-12(10)9(7-18-14)13(19)8-3-1-2-4-11(8)16/h1-7H,16H2,(H,17,18)
InChIKeyUPRSKYVFUCULKI-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.03
Rot. Bonds2

About (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 115512791) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID115512791
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNc1ccccc1C(=O)c1c[nH]c2nccc(Cl)c12
InChIInChI=1S/C14H10ClN3O/c15-10-5-6-17-14-12(10)9(7-18-14)13(19)8-3-1-2-4-11(8)16/h1-7H,16H2,(H,17,18)
InChIKeyUPRSKYVFUCULKI-UHFFFAOYSA-N
XLogP3.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 115512791) is (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Nc1ccccc1C(=O)c1c[nH]c2nccc(Cl)c12.
What is the InChIKey of (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is UPRSKYVFUCULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-5-6-17-14-12(10)9(7-18-14)13(19)8-3-1-2-4-11(8)16/h1-7H,16H2,(H,17,18).
What are the key properties of (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 271.71 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 115512791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).