(Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen

C14H17FN2 — CID 177041020

IUPAC(Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen
SMILESC#Cc1cn2cc(C)nc2cc1F.C/C=C\C.[H][H]
InChIInChI=1S/C10H7FN2.C4H8.H2/c1-3-8-6-13-5-7(2)12-10(13)4-9(8)11;1-3-4-2;/h1,4-6H,2H3;3-4H,1-2H3;1H/b;4-3-;
InChIKeySBAZTYZADCIXBU-LWFKIUJUSA-N
MW232.30 g/mol
LogP3.59
Rot. Bonds

About (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen

(Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen (PubChem CID 177041020) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen
PubChem CID177041020
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name(Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen
SMILESC#Cc1cn2cc(C)nc2cc1F.C/C=C\C.[H][H]
InChIInChI=1S/C10H7FN2.C4H8.H2/c1-3-8-6-13-5-7(2)12-10(13)4-9(8)11;1-3-4-2;/h1,4-6H,2H3;3-4H,1-2H3;1H/b;4-3-;
InChIKeySBAZTYZADCIXBU-LWFKIUJUSA-N
XLogP3.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen?
The IUPAC name of (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen (CID 177041020) is (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen.
What is the SMILES notation for (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen?
The canonical SMILES for (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen is C#Cc1cn2cc(C)nc2cc1F.C/C=C\C.[H][H].
What is the InChIKey of (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen?
The InChIKey is SBAZTYZADCIXBU-LWFKIUJUSA-N. The full InChI is InChI=1S/C10H7FN2.C4H8.H2/c1-3-8-6-13-5-7(2)12-10(13)4-9(8)11;1-3-4-2;/h1,4-6H,2H3;3-4H,1-2H3;1H/b;4-3-;.
What are the key properties of (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen?
(Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen has a molecular weight of 232.30 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;6-ethynyl-7-fluoro-2-methylimidazo[1,2-a]pyridine;molecular hydrogen is sourced from PubChem (CID 177041020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).