3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C8H6ClN3O — CID 166070006

IUPAC3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(Cl)c2n1
InChIInChI=1S/C8H6ClN3O/c9-4-3-11-5-1-2-6(8(10)13)12-7(4)5/h1-3,11H,(H2,10,13)
InChIKeyFKMAFKZQKNOXDR-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.32
Rot. Bonds1

About 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 166070006) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID166070006
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(Cl)c2n1
InChIInChI=1S/C8H6ClN3O/c9-4-3-11-5-1-2-6(8(10)13)12-7(4)5/h1-3,11H,(H2,10,13)
InChIKeyFKMAFKZQKNOXDR-UHFFFAOYSA-N
XLogP1.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 166070006) is 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is NC(=O)c1ccc2[nH]cc(Cl)c2n1.
What is the InChIKey of 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is FKMAFKZQKNOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c9-4-3-11-5-1-2-6(8(10)13)12-7(4)5/h1-3,11H,(H2,10,13).
What are the key properties of 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 195.61 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 166070006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).