2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride

C12H13Cl2N3O — CID 169445506

IUPAC2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=C1NCCc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C12H11N3O.2ClH/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12;;/h1-2,4-5,7,15H,3,6H2,(H,14,16);2*1H
InChIKeyKSKNLCXPGIARKA-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.21
Rot. Bonds1

About 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride

2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride (PubChem CID 169445506) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
PubChem CID169445506
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=C1NCCc2[nH]c(-c3ccncc3)cc21
InChIInChI=1S/C12H11N3O.2ClH/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12;;/h1-2,4-5,7,15H,3,6H2,(H,14,16);2*1H
InChIKeyKSKNLCXPGIARKA-UHFFFAOYSA-N
XLogP2.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride?
The IUPAC name of 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride (CID 169445506) is 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride.
What is the SMILES notation for 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride?
The canonical SMILES for 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride is Cl.Cl.O=C1NCCc2[nH]c(-c3ccncc3)cc21.
What is the InChIKey of 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride?
The InChIKey is KSKNLCXPGIARKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O.2ClH/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12;;/h1-2,4-5,7,15H,3,6H2,(H,14,16);2*1H.
What are the key properties of 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride?
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride has a molecular weight of 286.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride is sourced from PubChem (CID 169445506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).