[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea

C14H10ClN3O2 — CID 171471574

IUPAC[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea
SMILESNC(=O)Nc1cccc(-c2coc3cc(Cl)cnc23)c1
InChIInChI=1S/C14H10ClN3O2/c15-9-5-12-13(17-6-9)11(7-20-12)8-2-1-3-10(4-8)18-14(16)19/h1-7H,(H3,16,18,19)
InChIKeyDJPGFRJQQOSOIE-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.64
Rot. Bonds2

About [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea

[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea (PubChem CID 171471574) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea.

Molecular Properties

Compound Name[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea
PubChem CID171471574
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea
SMILESNC(=O)Nc1cccc(-c2coc3cc(Cl)cnc23)c1
InChIInChI=1S/C14H10ClN3O2/c15-9-5-12-13(17-6-9)11(7-20-12)8-2-1-3-10(4-8)18-14(16)19/h1-7H,(H3,16,18,19)
InChIKeyDJPGFRJQQOSOIE-UHFFFAOYSA-N
XLogP3.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea?
The IUPAC name of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea (CID 171471574) is [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea.
What is the SMILES notation for [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea?
The canonical SMILES for [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea is NC(=O)Nc1cccc(-c2coc3cc(Cl)cnc23)c1.
What is the InChIKey of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea?
The InChIKey is DJPGFRJQQOSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-9-5-12-13(17-6-9)11(7-20-12)8-2-1-3-10(4-8)18-14(16)19/h1-7H,(H3,16,18,19).
What are the key properties of [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea?
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea has a molecular weight of 287.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 171471574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).