5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid

C13H15BrN2O2 — CID 114096142

IUPAC5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1NCC1(C2CC2)CC1
InChIInChI=1S/C13H15BrN2O2/c14-9-5-10(12(17)18)11(15-6-9)16-7-13(3-4-13)8-1-2-8/h5-6,8H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyNVYZRLVRMWLCTC-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.14
Rot. Bonds5

About 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid

5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114096142) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid
PubChem CID114096142
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1NCC1(C2CC2)CC1
InChIInChI=1S/C13H15BrN2O2/c14-9-5-10(12(17)18)11(15-6-9)16-7-13(3-4-13)8-1-2-8/h5-6,8H,1-4,7H2,(H,15,16)(H,17,18)
InChIKeyNVYZRLVRMWLCTC-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[(1-cyclopropylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 114195473
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CID 113406289
5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991
5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114106055
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351
2-amino-5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 103838013
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid (CID 114096142) is 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1NCC1(C2CC2)CC1.
What is the InChIKey of 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is NVYZRLVRMWLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-9-5-10(12(17)18)11(15-6-9)16-7-13(3-4-13)8-1-2-8/h5-6,8H,1-4,7H2,(H,15,16)(H,17,18).
What are the key properties of 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid?
5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 311.18 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114096142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).