2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile

C13H8ClN5 — CID 53373666

IUPAC2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H8ClN5/c14-10-6-9(4-3-8(10)7-15)17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,(H2,17,18,19)
InChIKeyPDMZFEPBJSWTHR-UHFFFAOYSA-N
MW269.70 g/mol
LogP3.23
Rot. Bonds2

About 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile

2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile (PubChem CID 53373666) has the molecular formula C13H8ClN5 and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile
PubChem CID53373666
Molecular FormulaC13H8ClN5
Molecular Weight269.70 g/mol
Exact Mass269.05
IUPAC Name2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H8ClN5/c14-10-6-9(4-3-8(10)7-15)17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,(H2,17,18,19)
InChIKeyPDMZFEPBJSWTHR-UHFFFAOYSA-N
XLogP3.23
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile?
The IUPAC name of 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile (CID 53373666) is 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile?
The canonical SMILES for 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile is N#Cc1ccc(Nc2n[nH]c3cccnc23)cc1Cl.
What is the InChIKey of 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile?
The InChIKey is PDMZFEPBJSWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c14-10-6-9(4-3-8(10)7-15)17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,(H2,17,18,19).
What are the key properties of 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile?
2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile has a molecular weight of 269.70 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)benzonitrile is sourced from PubChem (CID 53373666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).