7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide

C22H14F3N3O4 — CID 135631507

IUPAC7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H14F3N3O4/c23-22(24,25)32-16-5-3-4-14(11-16)27-21-17(20(30)28-19-6-1-2-9-26-19)10-13-7-8-15(29)12-18(13)31-21/h1-12,29H,(H,26,28,30)/b27-21-
InChIKeyVOQBSVFIYQNCMJ-MEFGMAGPSA-N
MW441.37 g/mol
LogP4.92
Rot. Bonds4

About 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide

7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide (PubChem CID 135631507) has the molecular formula C22H14F3N3O4 and a molecular weight of 441.37 g/mol. Its IUPAC name is 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
PubChem CID135631507
Molecular FormulaC22H14F3N3O4
Molecular Weight441.37 g/mol
Exact Mass441.09
IUPAC Name7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H14F3N3O4/c23-22(24,25)32-16-5-3-4-14(11-16)27-21-17(20(30)28-19-6-1-2-9-26-19)10-13-7-8-15(29)12-18(13)31-21/h1-12,29H,(H,26,28,30)/b27-21-
InChIKeyVOQBSVFIYQNCMJ-MEFGMAGPSA-N
XLogP4.92
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.37
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631486
7-hydroxy-N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631666
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
CID 135631517
8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160
methyl 3-[[7-hydroxy-3-(1,3-thiazol-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631643
2-(3-chlorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631655
methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51367720
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide (CID 135631507) is 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide is O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
The InChIKey is VOQBSVFIYQNCMJ-MEFGMAGPSA-N. The full InChI is InChI=1S/C22H14F3N3O4/c23-22(24,25)32-16-5-3-4-14(11-16)27-21-17(20(30)28-19-6-1-2-9-26-19)10-13-7-8-15(29)12-18(13)31-21/h1-12,29H,(H,26,28,30)/b27-21-.
What are the key properties of 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide?
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide has a molecular weight of 441.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide is sourced from PubChem (CID 135631507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).