7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

C14H8ClFIN3O2 — CID 59704756

IUPAC7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1oc2c(Cl)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H8ClFIN3O2/c15-8-5-19-4-7-11(13(14(18)21)22-12(7)8)20-10-2-1-6(17)3-9(10)16/h1-5,20H,(H2,18,21)
InChIKeyUUMYCKPMPCQPDC-UHFFFAOYSA-N
MW431.59 g/mol
LogP4.07
Rot. Bonds3

About 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 59704756) has the molecular formula C14H8ClFIN3O2 and a molecular weight of 431.59 g/mol. Its IUPAC name is 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID59704756
Molecular FormulaC14H8ClFIN3O2
Molecular Weight431.59 g/mol
Exact Mass430.93
IUPAC Name7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1oc2c(Cl)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H8ClFIN3O2/c15-8-5-19-4-7-11(13(14(18)21)22-12(7)8)20-10-2-1-6(17)3-9(10)16/h1-5,20H,(H2,18,21)
InChIKeyUUMYCKPMPCQPDC-UHFFFAOYSA-N
XLogP4.07
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 59704756) is 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is NC(=O)c1oc2c(Cl)cncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is UUMYCKPMPCQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFIN3O2/c15-8-5-19-4-7-11(13(14(18)21)22-12(7)8)20-10-2-1-6(17)3-9(10)16/h1-5,20H,(H2,18,21).
What are the key properties of 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 431.59 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 59704756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).