3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine

C17H11ClFN3 — CID 159055346

IUPAC3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine
SMILESFc1ccc(Cl)c2ccc(Cc3[nH]nc4cccnc34)cc12
InChIInChI=1S/C17H11ClFN3/c18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17/h1-8H,9H2,(H,21,22)
InChIKeySFGNNFQZJUFXKP-UHFFFAOYSA-N
MW311.75 g/mol
LogP4.49
Rot. Bonds2

About 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine

3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine (PubChem CID 159055346) has the molecular formula C17H11ClFN3 and a molecular weight of 311.75 g/mol. Its IUPAC name is 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine
PubChem CID159055346
Molecular FormulaC17H11ClFN3
Molecular Weight311.75 g/mol
Exact Mass311.06
IUPAC Name3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine
SMILESFc1ccc(Cl)c2ccc(Cc3[nH]nc4cccnc34)cc12
InChIInChI=1S/C17H11ClFN3/c18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17/h1-8H,9H2,(H,21,22)
InChIKeySFGNNFQZJUFXKP-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine (CID 159055346) is 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine is Fc1ccc(Cl)c2ccc(Cc3[nH]nc4cccnc34)cc12.
What is the InChIKey of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is SFGNNFQZJUFXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3/c18-13-5-6-14(19)12-8-10(3-4-11(12)13)9-16-17-15(21-22-16)2-1-7-20-17/h1-8H,9H2,(H,21,22).
What are the key properties of 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine?
3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 311.75 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 159055346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).