2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid

C18H14FN3O2 — CID 51353192

IUPAC2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid
SMILESCC(CF)n1cc(C#N)c2cc(-c3cc(C(=O)O)ccn3)ccc21
InChIInChI=1S/C18H14FN3O2/c1-11(8-19)22-10-14(9-20)15-6-12(2-3-17(15)22)16-7-13(18(23)24)4-5-21-16/h2-7,10-11H,8H2,1H3,(H,23,24)
InChIKeyBUYFFYCTVCNIRQ-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.80
Rot. Bonds4

About 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid

2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid (PubChem CID 51353192) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid
PubChem CID51353192
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid
SMILESCC(CF)n1cc(C#N)c2cc(-c3cc(C(=O)O)ccn3)ccc21
InChIInChI=1S/C18H14FN3O2/c1-11(8-19)22-10-14(9-20)15-6-12(2-3-17(15)22)16-7-13(18(23)24)4-5-21-16/h2-7,10-11H,8H2,1H3,(H,23,24)
InChIKeyBUYFFYCTVCNIRQ-UHFFFAOYSA-N
XLogP3.80
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid (CID 51353192) is 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid is CC(CF)n1cc(C#N)c2cc(-c3cc(C(=O)O)ccn3)ccc21.
What is the InChIKey of 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is BUYFFYCTVCNIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-11(8-19)22-10-14(9-20)15-6-12(2-3-17(15)22)16-7-13(18(23)24)4-5-21-16/h2-7,10-11H,8H2,1H3,(H,23,24).
What are the key properties of 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid?
2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 323.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-1-(1-fluoropropan-2-yl)indol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 51353192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).