2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile

C20H19F2N3O2 — CID 165402933

IUPAC2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cnc(C2CC2)c(F)c1.O=C(O)Cc1cnc(C2CC2)c(F)c1
InChIInChI=1S/C10H9FN2.C10H10FNO2/c11-9-5-7(3-4-12)6-13-10(9)8-1-2-8;11-8-3-6(4-9(13)14)5-12-10(8)7-1-2-7/h5-6,8H,1-3H2;3,5,7H,1-2,4H2,(H,13,14)
InChIKeyGPSIPUPFAZUFAR-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.89
Rot. Bonds5

About 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile

2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile (PubChem CID 165402933) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
PubChem CID165402933
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cnc(C2CC2)c(F)c1.O=C(O)Cc1cnc(C2CC2)c(F)c1
InChIInChI=1S/C10H9FN2.C10H10FNO2/c11-9-5-7(3-4-12)6-13-10(9)8-1-2-8;11-8-3-6(4-9(13)14)5-12-10(8)7-1-2-7/h5-6,8H,1-3H2;3,5,7H,1-2,4H2,(H,13,14)
InChIKeyGPSIPUPFAZUFAR-UHFFFAOYSA-N
XLogP3.89
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile (CID 165402933) is 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile is N#CCc1cnc(C2CC2)c(F)c1.O=C(O)Cc1cnc(C2CC2)c(F)c1.
What is the InChIKey of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
The InChIKey is GPSIPUPFAZUFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2.C10H10FNO2/c11-9-5-7(3-4-12)6-13-10(9)8-1-2-8;11-8-3-6(4-9(13)14)5-12-10(8)7-1-2-7/h5-6,8H,1-3H2;3,5,7H,1-2,4H2,(H,13,14).
What are the key properties of 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile?
2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile has a molecular weight of 371.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetic acid;2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile is sourced from PubChem (CID 165402933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).