5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide

C19H13ClF2IN3O — CID 141349561

IUPAC5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C19H13ClF2IN3O/c20-14-6-12(2-3-17(14)23)25-9-11-5-15(21)16(22)7-13(11)10-1-4-18(19(24)27)26-8-10/h1-8,25H,9H2,(H2,24,27)
InChIKeyCOKSUBZBKXDNKA-UHFFFAOYSA-N
MW499.69 g/mol
LogP5.00
Rot. Bonds5

About 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide

5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide (PubChem CID 141349561) has the molecular formula C19H13ClF2IN3O and a molecular weight of 499.69 g/mol. Its IUPAC name is 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide
PubChem CID141349561
Molecular FormulaC19H13ClF2IN3O
Molecular Weight499.69 g/mol
Exact Mass498.98
IUPAC Name5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(I)c(Cl)c2)cn1
InChIInChI=1S/C19H13ClF2IN3O/c20-14-6-12(2-3-17(14)23)25-9-11-5-15(21)16(22)7-13(11)10-1-4-18(19(24)27)26-8-10/h1-8,25H,9H2,(H2,24,27)
InChIKeyCOKSUBZBKXDNKA-UHFFFAOYSA-N
XLogP5.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.69
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide (CID 141349561) is 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(I)c(Cl)c2)cn1.
What is the InChIKey of 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide?
The InChIKey is COKSUBZBKXDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2IN3O/c20-14-6-12(2-3-17(14)23)25-9-11-5-15(21)16(22)7-13(11)10-1-4-18(19(24)27)26-8-10/h1-8,25H,9H2,(H2,24,27).
What are the key properties of 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide?
5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide has a molecular weight of 499.69 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-chloro-4-iodoanilino)methyl]-4,5-difluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 141349561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).