[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate

C16H12F2IN3O5 — CID 87407476

IUPAC[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate
SMILESO=C(NOCCO)Oc1oc2c(F)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H12F2IN3O5/c17-10-5-8(19)1-2-12(10)21-13-9-6-20-7-11(18)14(9)26-15(13)27-16(24)22-25-4-3-23/h1-2,5-7,21,23H,3-4H2,(H,22,24)
InChIKeyNIHAWDVSASHHKO-UHFFFAOYSA-N
MW491.19 g/mol
LogP3.47
Rot. Bonds6

About [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate

[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate (PubChem CID 87407476) has the molecular formula C16H12F2IN3O5 and a molecular weight of 491.19 g/mol. Its IUPAC name is [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate.

Molecular Properties

Compound Name[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate
PubChem CID87407476
Molecular FormulaC16H12F2IN3O5
Molecular Weight491.19 g/mol
Exact Mass490.98
IUPAC Name[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate
SMILESO=C(NOCCO)Oc1oc2c(F)cncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H12F2IN3O5/c17-10-5-8(19)1-2-12(10)21-13-9-6-20-7-11(18)14(9)26-15(13)27-16(24)22-25-4-3-23/h1-2,5-7,21,23H,3-4H2,(H,22,24)
InChIKeyNIHAWDVSASHHKO-UHFFFAOYSA-N
XLogP3.47
TPSA105.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.19
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-4-iodoanilino)-2-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2,7-dicarboxamide
CID 59704749
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
[3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-piperidin-1-ylethoxy)carbamate
CID 87407136
7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 88932158
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-7-oxo-6H-thieno[2,3-d]pyridazine-2-carboxamide
CID 59703868
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
ethyl 5-(2-fluoro-4-iodoanilino)furo[2,3-d]pyrimidine-6-carboxylate
CID 59704595

Frequently Asked Questions

What is the IUPAC name of [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate?
The IUPAC name of [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate (CID 87407476) is [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate.
What is the SMILES notation for [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate?
The canonical SMILES for [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate is O=C(NOCCO)Oc1oc2c(F)cncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate?
The InChIKey is NIHAWDVSASHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2IN3O5/c17-10-5-8(19)1-2-12(10)21-13-9-6-20-7-11(18)14(9)26-15(13)27-16(24)22-25-4-3-23/h1-2,5-7,21,23H,3-4H2,(H,22,24).
What are the key properties of [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate?
[7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate has a molecular weight of 491.19 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridin-2-yl] N-(2-hydroxyethoxy)carbamate is sourced from PubChem (CID 87407476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).