2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid

C16H10ClFN2O2 — CID 118665359

IUPAC2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C16H10ClFN2O2/c17-12-6-11-3-9(5-14(18)15(11)20-8-12)4-13-7-10(16(21)22)1-2-19-13/h1-3,5-8H,4H2,(H,21,22)
InChIKeyOIIPOVJVOQSARD-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.71
Rot. Bonds3

About 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid

2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 118665359) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
PubChem CID118665359
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C16H10ClFN2O2/c17-12-6-11-3-9(5-14(18)15(11)20-8-12)4-13-7-10(16(21)22)1-2-19-13/h1-3,5-8H,4H2,(H,21,22)
InChIKeyOIIPOVJVOQSARD-UHFFFAOYSA-N
XLogP3.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid (CID 118665359) is 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is OIIPOVJVOQSARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-12-6-11-3-9(5-14(18)15(11)20-8-12)4-13-7-10(16(21)22)1-2-19-13/h1-3,5-8H,4H2,(H,21,22).
What are the key properties of 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid?
2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 316.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 118665359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).