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

C13H8ClF3N4 — CID 53373762

IUPACN-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H8ClF3N4/c14-9-6-7(3-4-8(9)13(15,16)17)19-12-11-10(20-21-12)2-1-5-18-11/h1-6H,(H2,19,20,21)
InChIKeyRSWJVYKEYFTSQT-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.37
Rot. Bonds2

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

N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 53373762) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID53373762
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC NameN-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl
InChIInChI=1S/C13H8ClF3N4/c14-9-6-7(3-4-8(9)13(15,16)17)19-12-11-10(20-21-12)2-1-5-18-11/h1-6H,(H2,19,20,21)
InChIKeyRSWJVYKEYFTSQT-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 53373762) is N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is FC(F)(F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is RSWJVYKEYFTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c14-9-6-7(3-4-8(9)13(15,16)17)19-12-11-10(20-21-12)2-1-5-18-11/h1-6H,(H2,19,20,21).
What are the key properties of N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 312.68 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 53373762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).