5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole

C16H13ClFN3 — CID 170164813

IUPAC5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole
SMILESCn1nc2ccc(-c3cc(Cl)ncc3F)cc2c1C1CC1
InChIInChI=1S/C16H13ClFN3/c1-21-16(9-2-3-9)12-6-10(4-5-14(12)20-21)11-7-15(17)19-8-13(11)18/h4-9H,2-3H2,1H3
InChIKeyHOFVSGJZINMQRG-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.31
Rot. Bonds2

About 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole

5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole (PubChem CID 170164813) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole
PubChem CID170164813
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole
SMILESCn1nc2ccc(-c3cc(Cl)ncc3F)cc2c1C1CC1
InChIInChI=1S/C16H13ClFN3/c1-21-16(9-2-3-9)12-6-10(4-5-14(12)20-21)11-7-15(17)19-8-13(11)18/h4-9H,2-3H2,1H3
InChIKeyHOFVSGJZINMQRG-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole?
The IUPAC name of 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole (CID 170164813) is 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole.
What is the SMILES notation for 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole?
The canonical SMILES for 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole is Cn1nc2ccc(-c3cc(Cl)ncc3F)cc2c1C1CC1.
What is the InChIKey of 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole?
The InChIKey is HOFVSGJZINMQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-21-16(9-2-3-9)12-6-10(4-5-14(12)20-21)11-7-15(17)19-8-13(11)18/h4-9H,2-3H2,1H3.
What are the key properties of 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole?
5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole has a molecular weight of 301.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-4-pyridinyl)-3-cyclopropyl-2-methylindazole is sourced from PubChem (CID 170164813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).