2-chloro-4-indazol-1-ylbenzenecarboximidamide

C14H11ClN4 — CID 62948880

IUPAC2-chloro-4-indazol-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ncc3ccccc32)cc1Cl
InChIInChI=1S/C14H11ClN4/c15-12-7-10(5-6-11(12)14(16)17)19-13-4-2-1-3-9(13)8-18-19/h1-8H,(H3,16,17)
InChIKeyBYSHEKKZCPCZLX-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.96
Rot. Bonds2

About 2-chloro-4-indazol-1-ylbenzenecarboximidamide

2-chloro-4-indazol-1-ylbenzenecarboximidamide (PubChem CID 62948880) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-4-indazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-indazol-1-ylbenzenecarboximidamide
PubChem CID62948880
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name2-chloro-4-indazol-1-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-n2ncc3ccccc32)cc1Cl
InChIInChI=1S/C14H11ClN4/c15-12-7-10(5-6-11(12)14(16)17)19-13-4-2-1-3-9(13)8-18-19/h1-8H,(H3,16,17)
InChIKeyBYSHEKKZCPCZLX-UHFFFAOYSA-N
XLogP2.96
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-indazol-1-ylbenzenecarboximidamide?
The IUPAC name of 2-chloro-4-indazol-1-ylbenzenecarboximidamide (CID 62948880) is 2-chloro-4-indazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-indazol-1-ylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-indazol-1-ylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(-n2ncc3ccccc32)cc1Cl.
What is the InChIKey of 2-chloro-4-indazol-1-ylbenzenecarboximidamide?
The InChIKey is BYSHEKKZCPCZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-12-7-10(5-6-11(12)14(16)17)19-13-4-2-1-3-9(13)8-18-19/h1-8H,(H3,16,17).
What are the key properties of 2-chloro-4-indazol-1-ylbenzenecarboximidamide?
2-chloro-4-indazol-1-ylbenzenecarboximidamide has a molecular weight of 270.72 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-indazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 62948880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).