1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea

C10H12BrN3O2 — CID 108887933

IUPAC1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea
SMILESO=C(Nc1ccc(Br)cn1)NC1CCCO1
InChIInChI=1S/C10H12BrN3O2/c11-7-3-4-8(12-6-7)13-10(15)14-9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H2,12,13,14,15)
InChIKeyFJVOBZIJYICSEE-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.10
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea

1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea (PubChem CID 108887933) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea
PubChem CID108887933
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea
SMILESO=C(Nc1ccc(Br)cn1)NC1CCCO1
InChIInChI=1S/C10H12BrN3O2/c11-7-3-4-8(12-6-7)13-10(15)14-9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H2,12,13,14,15)
InChIKeyFJVOBZIJYICSEE-UHFFFAOYSA-N
XLogP2.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
CID 115274048
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-(5-bromo-2-pyridinyl)-3-cyclohexylthiourea
CID 19686352
1-(5-bromo-2-pyridinyl)-3-prop-1-en-2-ylurea
CID 108910477
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95761585
1-(5-bromo-2-pyridinyl)-3-ethenylurea
CID 108909365
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea (CID 108887933) is 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea is O=C(Nc1ccc(Br)cn1)NC1CCCO1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea?
The InChIKey is FJVOBZIJYICSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c11-7-3-4-8(12-6-7)13-10(15)14-9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H2,12,13,14,15).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea?
1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea has a molecular weight of 286.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 108887933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).