3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide

C14H9Cl2N3O — CID 90479835

IUPAC3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-1-8(7-10(9)16)14(20)19-13-4-3-11-12(18-13)5-6-17-11/h1-7,17H,(H,18,19,20)
InChIKeyQAHBZSXHNUAECQ-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.12
Rot. Bonds2

About 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide

3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide (PubChem CID 90479835) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide
PubChem CID90479835
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3O/c15-9-2-1-8(7-10(9)16)14(20)19-13-4-3-11-12(18-13)5-6-17-11/h1-7,17H,(H,18,19,20)
InChIKeyQAHBZSXHNUAECQ-UHFFFAOYSA-N
XLogP4.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide (CID 90479835) is 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide is O=C(Nc1ccc2[nH]ccc2n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
The InChIKey is QAHBZSXHNUAECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-2-1-8(7-10(9)16)14(20)19-13-4-3-11-12(18-13)5-6-17-11/h1-7,17H,(H,18,19,20).
What are the key properties of 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide has a molecular weight of 306.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 90479835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).