8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline

C13H9ClFN3 — CID 52731668

IUPAC8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline
SMILESFc1cc(Cn2cc(Cl)cn2)c2ncccc2c1
InChIInChI=1S/C13H9ClFN3/c14-11-6-17-18(8-11)7-10-5-12(15)4-9-2-1-3-16-13(9)10/h1-6,8H,7H2
InChIKeyWIEKOPFCCIZVBC-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.27
Rot. Bonds2

About 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline

8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline (PubChem CID 52731668) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline
PubChem CID52731668
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline
SMILESFc1cc(Cn2cc(Cl)cn2)c2ncccc2c1
InChIInChI=1S/C13H9ClFN3/c14-11-6-17-18(8-11)7-10-5-12(15)4-9-2-1-3-16-13(9)10/h1-6,8H,7H2
InChIKeyWIEKOPFCCIZVBC-UHFFFAOYSA-N
XLogP3.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline?
The IUPAC name of 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline (CID 52731668) is 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline?
The canonical SMILES for 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline is Fc1cc(Cn2cc(Cl)cn2)c2ncccc2c1.
What is the InChIKey of 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline?
The InChIKey is WIEKOPFCCIZVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-11-6-17-18(8-11)7-10-5-12(15)4-9-2-1-3-16-13(9)10/h1-6,8H,7H2.
What are the key properties of 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline?
8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline has a molecular weight of 261.69 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chloropyrazol-1-yl)methyl]-6-fluoroquinoline is sourced from PubChem (CID 52731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).