6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine

C13H10ClFN4 — CID 166558788

IUPAC6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCc1cc(Nc2cc3cn[nH]c3nc2Cl)ccc1F
InChIInChI=1S/C13H10ClFN4/c1-7-4-9(2-3-10(7)15)17-11-5-8-6-16-19-13(8)18-12(11)14/h2-6,17H,1H3,(H,16,18,19)
InChIKeyQXZAVOQJZVZAOX-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.80
Rot. Bonds2

About 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine

6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 166558788) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID166558788
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCc1cc(Nc2cc3cn[nH]c3nc2Cl)ccc1F
InChIInChI=1S/C13H10ClFN4/c1-7-4-9(2-3-10(7)15)17-11-5-8-6-16-19-13(8)18-12(11)14/h2-6,17H,1H3,(H,16,18,19)
InChIKeyQXZAVOQJZVZAOX-UHFFFAOYSA-N
XLogP3.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.80
H-Bond Donors ≤ 52
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 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine (CID 166558788) is 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine is Cc1cc(Nc2cc3cn[nH]c3nc2Cl)ccc1F.
What is the InChIKey of 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is QXZAVOQJZVZAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c1-7-4-9(2-3-10(7)15)17-11-5-8-6-16-19-13(8)18-12(11)14/h2-6,17H,1H3,(H,16,18,19).
What are the key properties of 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine?
6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 276.70 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluoro-3-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 166558788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).