N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C12H8ClFN4 — CID 53373663

IUPACN-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1c(Cl)cccc1Nc1n[nH]c2cccnc12
InChIInChI=1S/C12H8ClFN4/c13-7-3-1-4-8(10(7)14)16-12-11-9(17-18-12)5-2-6-15-11/h1-6H,(H2,16,17,18)
InChIKeyBKXDOLSXMJDNDB-UHFFFAOYSA-N
MW262.68 g/mol
LogP3.49
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53373663) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53373663
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC NameN-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFc1c(Cl)cccc1Nc1n[nH]c2cccnc12
InChIInChI=1S/C12H8ClFN4/c13-7-3-1-4-8(10(7)14)16-12-11-9(17-18-12)5-2-6-15-11/h1-6H,(H2,16,17,18)
InChIKeyBKXDOLSXMJDNDB-UHFFFAOYSA-N
XLogP3.49
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53373663) is N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is Fc1c(Cl)cccc1Nc1n[nH]c2cccnc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is BKXDOLSXMJDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c13-7-3-1-4-8(10(7)14)16-12-11-9(17-18-12)5-2-6-15-11/h1-6H,(H2,16,17,18).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 262.68 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53373663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).