1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile

C10H7ClFN5 — CID 170351662

IUPAC1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile
SMILESN#CC1(F)CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C10H7ClFN5/c11-8-1-7-6(2-14-8)9(16-15-7)17-4-10(12,3-13)5-17/h1-2H,4-5H2,(H,15,16)
InChIKeySAJWHAKXPBHFNM-UHFFFAOYSA-N
MW251.65 g/mol
LogP1.66
Rot. Bonds1

About 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile (PubChem CID 170351662) has the molecular formula C10H7ClFN5 and a molecular weight of 251.65 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile
PubChem CID170351662
Molecular FormulaC10H7ClFN5
Molecular Weight251.65 g/mol
Exact Mass251.04
IUPAC Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile
SMILESN#CC1(F)CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C10H7ClFN5/c11-8-1-7-6(2-14-8)9(16-15-7)17-4-10(12,3-13)5-17/h1-2H,4-5H2,(H,15,16)
InChIKeySAJWHAKXPBHFNM-UHFFFAOYSA-N
XLogP1.66
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile?
The IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile (CID 170351662) is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile.
What is the SMILES notation for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile?
The canonical SMILES for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile is N#CC1(F)CN(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile?
The InChIKey is SAJWHAKXPBHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN5/c11-8-1-7-6(2-14-8)9(16-15-7)17-4-10(12,3-13)5-17/h1-2H,4-5H2,(H,15,16).
What are the key properties of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile?
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile has a molecular weight of 251.65 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile is sourced from PubChem (CID 170351662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).