5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

C11H11BrN2O4 — CID 102688642

IUPAC5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(Br)cn2)O1
InChIInChI=1S/C11H11BrN2O4/c12-6-1-4-9(13-5-6)14-10(15)7-2-3-8(18-7)11(16)17/h1,4-5,7-8H,2-3H2,(H,16,17)(H,13,14,15)
InChIKeySZKGWNQHXSVHNI-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.41
Rot. Bonds3

About 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688642) has the molecular formula C11H11BrN2O4 and a molecular weight of 315.12 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688642
Molecular FormulaC11H11BrN2O4
Molecular Weight315.12 g/mol
Exact Mass313.99
IUPAC Name5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(Br)cn2)O1
InChIInChI=1S/C11H11BrN2O4/c12-6-1-4-9(13-5-6)14-10(15)7-2-3-8(18-7)11(16)17/h1,4-5,7-8H,2-3H2,(H,16,17)(H,13,14,15)
InChIKeySZKGWNQHXSVHNI-UHFFFAOYSA-N
XLogP1.41
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
5-[(3-bromo-4-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688823
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
(2R,5S)-5-[(6-chloro-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945567
methyl 4-[(5-bromo-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 58577910
(2R,5S)-5-[(4-bromo-2-ethylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945483
5-[(2-bromophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687619
1-(5-bromo-2-pyridinyl)-3-cyclohexylthiourea
CID 19686352
(2R,5S)-5-(pyridin-4-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944564

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 102688642) is 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc(Br)cn2)O1.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is SZKGWNQHXSVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4/c12-6-1-4-9(13-5-6)14-10(15)7-2-3-8(18-7)11(16)17/h1,4-5,7-8H,2-3H2,(H,16,17)(H,13,14,15).
What are the key properties of 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 315.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).