6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid

C13H14ClN3O3 — CID 79241848

IUPAC6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1noc(C)c1C(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H14ClN3O3/c1-6(11-7(2)17-20-8(11)3)15-12-9(13(18)19)4-5-10(14)16-12/h4-6H,1-3H3,(H,15,16)(H,18,19)
InChIKeyBDUHXJOERXHFFS-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.21
Rot. Bonds4

About 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid

6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 79241848) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID79241848
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1noc(C)c1C(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H14ClN3O3/c1-6(11-7(2)17-20-8(11)3)15-12-9(13(18)19)4-5-10(14)16-12/h4-6H,1-3H3,(H,15,16)(H,18,19)
InChIKeyBDUHXJOERXHFFS-UHFFFAOYSA-N
XLogP3.21
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
CID 79237569
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-3-fluorobenzoic acid
CID 79241609
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 79232217
6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 63376636
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622
3,5-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762257
6-chloro-2-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 114093876
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 79233496
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid (CID 79241848) is 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid is Cc1noc(C)c1C(C)Nc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is BDUHXJOERXHFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-6(11-7(2)17-20-8(11)3)15-12-9(13(18)19)4-5-10(14)16-12/h4-6H,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 295.73 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79241848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).