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

C14H9ClFN3O — CID 90646727

IUPAC3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2n1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFN3O/c15-9-7-8(1-2-10(9)16)14(20)19-13-4-3-11-12(18-13)5-6-17-11/h1-7,17H,(H,18,19,20)
InChIKeyVJFFXTDRWUNSPP-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.61
Rot. Bonds2

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

3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide (PubChem CID 90646727) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide
PubChem CID90646727
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2n1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9ClFN3O/c15-9-7-8(1-2-10(9)16)14(20)19-13-4-3-11-12(18-13)5-6-17-11/h1-7,17H,(H,18,19,20)
InChIKeyVJFFXTDRWUNSPP-UHFFFAOYSA-N
XLogP3.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide (CID 90646727) is 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide is O=C(Nc1ccc2[nH]ccc2n1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
The InChIKey is VJFFXTDRWUNSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-9-7-8(1-2-10(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-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide?
3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide has a molecular weight of 289.70 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1H-pyrrolo[3,2-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 90646727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).