4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C12H10N4 — CID 44517343

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESNc1cc(-c2c[nH]c3ncccc23)ccn1
InChIInChI=1S/C12H10N4/c13-11-6-8(3-5-14-11)10-7-16-12-9(10)2-1-4-15-12/h1-7H,(H2,13,14)(H,15,16)
InChIKeyRCHRKGWFYYUGMO-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.21
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 44517343) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID44517343
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESNc1cc(-c2c[nH]c3ncccc23)ccn1
InChIInChI=1S/C12H10N4/c13-11-6-8(3-5-14-11)10-7-16-12-9(10)2-1-4-15-12/h1-7H,(H2,13,14)(H,15,16)
InChIKeyRCHRKGWFYYUGMO-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 44517343) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Nc1cc(-c2c[nH]c3ncccc23)ccn1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is RCHRKGWFYYUGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-11-6-8(3-5-14-11)10-7-16-12-9(10)2-1-4-15-12/h1-7H,(H2,13,14)(H,15,16).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 44517343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).