[2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol

C16H12ClFN2O — CID 137385956

IUPAC[2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(Cc2cnc3cc(F)c(Cl)cc3c2)c1
InChIInChI=1S/C16H12ClFN2O/c17-14-6-12-3-11(8-20-16(12)7-15(14)18)5-13-4-10(9-21)1-2-19-13/h1-4,6-8,21H,5,9H2
InChIKeyFKFBYNRDLKZYTL-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.51
Rot. Bonds3

About [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol

[2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol (PubChem CID 137385956) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol
PubChem CID137385956
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name[2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(Cc2cnc3cc(F)c(Cl)cc3c2)c1
InChIInChI=1S/C16H12ClFN2O/c17-14-6-12-3-11(8-20-16(12)7-15(14)18)5-13-4-10(9-21)1-2-19-13/h1-4,6-8,21H,5,9H2
InChIKeyFKFBYNRDLKZYTL-UHFFFAOYSA-N
XLogP3.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol?
The IUPAC name of [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol (CID 137385956) is [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol is OCc1ccnc(Cc2cnc3cc(F)c(Cl)cc3c2)c1.
What is the InChIKey of [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol?
The InChIKey is FKFBYNRDLKZYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-14-6-12-3-11(8-20-16(12)7-15(14)18)5-13-4-10(9-21)1-2-19-13/h1-4,6-8,21H,5,9H2.
What are the key properties of [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol?
[2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol has a molecular weight of 302.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-7-fluoroquinolin-3-yl)methyl]-4-pyridinyl]methanol is sourced from PubChem (CID 137385956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).