(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride

C14H13F5N4 — CID 166794703

IUPAC(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride
SMILESCC(/N=C(F)/C=C\CF)c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H13F5N4/c1-8(21-11(16)4-3-5-15)12-22-10-6-9(14(17,18)19)7-20-13(10)23(12)2/h3-4,6-8H,5H2,1-2H3/b4-3-,21-11-
InChIKeyVWYBFANOFMTHCE-VNVNYTLESA-N
MW332.28 g/mol
LogP3.94
Rot. Bonds4

About (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride

(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride (PubChem CID 166794703) has the molecular formula C14H13F5N4 and a molecular weight of 332.28 g/mol. Its IUPAC name is (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride
PubChem CID166794703
Molecular FormulaC14H13F5N4
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride
SMILESCC(/N=C(F)/C=C\CF)c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C14H13F5N4/c1-8(21-11(16)4-3-5-15)12-22-10-6-9(14(17,18)19)7-20-13(10)23(12)2/h3-4,6-8H,5H2,1-2H3/b4-3-,21-11-
InChIKeyVWYBFANOFMTHCE-VNVNYTLESA-N
XLogP3.94
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride?
The IUPAC name of (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride (CID 166794703) is (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride?
The canonical SMILES for (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride is CC(/N=C(F)/C=C\CF)c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride?
The InChIKey is VWYBFANOFMTHCE-VNVNYTLESA-N. The full InChI is InChI=1S/C14H13F5N4/c1-8(21-11(16)4-3-5-15)12-22-10-6-9(14(17,18)19)7-20-13(10)23(12)2/h3-4,6-8H,5H2,1-2H3/b4-3-,21-11-.
What are the key properties of (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride?
(Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride has a molecular weight of 332.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-N-[1-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]ethyl]but-2-enimidoyl fluoride is sourced from PubChem (CID 166794703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).