5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid

C12H11BrN2O3 — CID 62524581

IUPAC5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2ncc(Br)cc2C(=O)O)o1
InChIInChI=1S/C12H11BrN2O3/c1-7-2-3-9(18-7)6-15-11-10(12(16)17)4-8(13)5-14-11/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyFABFIZRKWUUKIU-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.06
Rot. Bonds4

About 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid

5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 62524581) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID62524581
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2ncc(Br)cc2C(=O)O)o1
InChIInChI=1S/C12H11BrN2O3/c1-7-2-3-9(18-7)6-15-11-10(12(16)17)4-8(13)5-14-11/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyFABFIZRKWUUKIU-UHFFFAOYSA-N
XLogP3.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62000351
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CID 104762194
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
CID 62523902
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
2-bromo-5-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 115296876
5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid (CID 62524581) is 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid is Cc1ccc(CNc2ncc(Br)cc2C(=O)O)o1.
What is the InChIKey of 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is FABFIZRKWUUKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-7-2-3-9(18-7)6-15-11-10(12(16)17)4-8(13)5-14-11/h2-5H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid?
5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 311.14 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62524581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).