3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C14H10ClFN4O — CID 89151606

IUPAC3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C14H10ClFN4O/c15-9-1-2-10(17)12(16)11(9)14(21)20-8-5-7-3-4-18-13(7)19-6-8/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyXDYRHQGWSFBAIR-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.19
Rot. Bonds2

About 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 89151606) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID89151606
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESNc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F
InChIInChI=1S/C14H10ClFN4O/c15-9-1-2-10(17)12(16)11(9)14(21)20-8-5-7-3-4-18-13(7)19-6-8/h1-6H,17H2,(H,18,19)(H,20,21)
InChIKeyXDYRHQGWSFBAIR-UHFFFAOYSA-N
XLogP3.19
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 89151606) is 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F.
What is the InChIKey of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is XDYRHQGWSFBAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-9-1-2-10(17)12(16)11(9)14(21)20-8-5-7-3-4-18-13(7)19-6-8/h1-6H,17H2,(H,18,19)(H,20,21).
What are the key properties of 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 304.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 89151606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).