2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide

C22H15ClFN3O3 — CID 135990507

IUPAC2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(Cl)ccc2F)nc1
InChIInChI=1S/C22H15ClFN3O3/c1-12-2-7-20(25-11-12)27-21(29)16-8-13-3-5-15(28)10-19(13)30-22(16)26-18-9-14(23)4-6-17(18)24/h2-11,28H,1H3,(H,25,27,29)/b26-22-
InChIKeyHWVOASYCNIMDAI-ROMGYVFFSA-N
MW423.83 g/mol
LogP5.12
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide

2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 135990507) has the molecular formula C22H15ClFN3O3 and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID135990507
Molecular FormulaC22H15ClFN3O3
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC Name2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(Cl)ccc2F)nc1
InChIInChI=1S/C22H15ClFN3O3/c1-12-2-7-20(25-11-12)27-21(29)16-8-13-3-5-15(28)10-19(13)30-22(16)26-18-9-14(23)4-6-17(18)24/h2-11,28H,1H3,(H,25,27,29)/b26-22-
InChIKeyHWVOASYCNIMDAI-ROMGYVFFSA-N
XLogP5.12
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.83
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631538
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631585
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
CID 135631517
6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367465
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367773
2-(4-fluoro-2-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631668
2-(3-chloro-4-fluorophenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631659
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide (CID 135990507) is 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(Cl)ccc2F)nc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is HWVOASYCNIMDAI-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H15ClFN3O3/c1-12-2-7-20(25-11-12)27-21(29)16-8-13-3-5-15(28)10-19(13)30-22(16)26-18-9-14(23)4-6-17(18)24/h2-11,28H,1H3,(H,25,27,29)/b26-22-.
What are the key properties of 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 423.83 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 135990507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).