6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid

C16H12F3NO3 — CID 70654787

IUPAC6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2c(F)cc(OCC3CC3)cc2F)n1
InChIInChI=1S/C16H12F3NO3/c17-10-3-4-13(16(21)22)20-15(10)14-11(18)5-9(6-12(14)19)23-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,21,22)
InChIKeyRQZHPHHWZNISDK-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.65
Rot. Bonds5

About 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid

6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 70654787) has the molecular formula C16H12F3NO3 and a molecular weight of 323.27 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid
PubChem CID70654787
Molecular FormulaC16H12F3NO3
Molecular Weight323.27 g/mol
Exact Mass323.08
IUPAC Name6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)c(-c2c(F)cc(OCC3CC3)cc2F)n1
InChIInChI=1S/C16H12F3NO3/c17-10-3-4-13(16(21)22)20-15(10)14-11(18)5-9(6-12(14)19)23-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,21,22)
InChIKeyRQZHPHHWZNISDK-UHFFFAOYSA-N
XLogP3.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid (CID 70654787) is 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)c(-c2c(F)cc(OCC3CC3)cc2F)n1.
What is the InChIKey of 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is RQZHPHHWZNISDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3/c17-10-3-4-13(16(21)22)20-15(10)14-11(18)5-9(6-12(14)19)23-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,21,22).
What are the key properties of 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid?
6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 323.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethoxy)-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 70654787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).