[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid

C14H8FN3O4 — CID 70843747

IUPAC[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid
SMILESO=C(O)Nc1c(C(=O)c2ccc(F)nc2)oc2ncccc12
InChIInChI=1S/C14H8FN3O4/c15-9-4-3-7(6-17-9)11(19)12-10(18-14(20)21)8-2-1-5-16-13(8)22-12/h1-6,18H,(H,20,21)
InChIKeyFJRGYHZUJXACKM-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.68
Rot. Bonds3

About [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid

[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid (PubChem CID 70843747) has the molecular formula C14H8FN3O4 and a molecular weight of 301.23 g/mol. Its IUPAC name is [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid.

Molecular Properties

Compound Name[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid
PubChem CID70843747
Molecular FormulaC14H8FN3O4
Molecular Weight301.23 g/mol
Exact Mass301.05
IUPAC Name[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid
SMILESO=C(O)Nc1c(C(=O)c2ccc(F)nc2)oc2ncccc12
InChIInChI=1S/C14H8FN3O4/c15-9-4-3-7(6-17-9)11(19)12-10(18-14(20)21)8-2-1-5-16-13(8)22-12/h1-6,18H,(H,20,21)
InChIKeyFJRGYHZUJXACKM-UHFFFAOYSA-N
XLogP2.68
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid?
The IUPAC name of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid (CID 70843747) is [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid.
What is the SMILES notation for [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid?
The canonical SMILES for [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid is O=C(O)Nc1c(C(=O)c2ccc(F)nc2)oc2ncccc12.
What is the InChIKey of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid?
The InChIKey is FJRGYHZUJXACKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O4/c15-9-4-3-7(6-17-9)11(19)12-10(18-14(20)21)8-2-1-5-16-13(8)22-12/h1-6,18H,(H,20,21).
What are the key properties of [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid?
[2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid has a molecular weight of 301.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoropyridine-3-carbonyl)furo[2,3-b]pyridin-3-yl]carbamic acid is sourced from PubChem (CID 70843747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).