N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine

C13H8FIN2O — CID 69267123

IUPACN-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine
SMILESFc1cc(I)ccc1Nc1coc2ccncc12
InChIInChI=1S/C13H8FIN2O/c14-10-5-8(15)1-2-11(10)17-12-7-18-13-3-4-16-6-9(12)13/h1-7,17H
InChIKeyKBPSVCIOTXNVOS-UHFFFAOYSA-N
MW354.12 g/mol
LogP4.32
Rot. Bonds2

About N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine

N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine (PubChem CID 69267123) has the molecular formula C13H8FIN2O and a molecular weight of 354.12 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine
PubChem CID69267123
Molecular FormulaC13H8FIN2O
Molecular Weight354.12 g/mol
Exact Mass353.97
IUPAC NameN-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine
SMILESFc1cc(I)ccc1Nc1coc2ccncc12
InChIInChI=1S/C13H8FIN2O/c14-10-5-8(15)1-2-11(10)17-12-7-18-13-3-4-16-6-9(12)13/h1-7,17H
InChIKeyKBPSVCIOTXNVOS-UHFFFAOYSA-N
XLogP4.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 54.32
H-Bond Donors ≤ 51
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 N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine?
The IUPAC name of N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine (CID 69267123) is N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine is Fc1cc(I)ccc1Nc1coc2ccncc12.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine?
The InChIKey is KBPSVCIOTXNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2O/c14-10-5-8(15)1-2-11(10)17-12-7-18-13-3-4-16-6-9(12)13/h1-7,17H.
What are the key properties of N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine?
N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine has a molecular weight of 354.12 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)furo[3,2-c]pyridin-3-amine is sourced from PubChem (CID 69267123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).