5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid

C12H13ClN4O2 — CID 114250932

IUPAC5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)n1ccc(Nc2ncc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-7(2)17-4-3-10(16-17)15-11-9(13)5-8(6-14-11)12(18)19/h3-7H,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyHSIXFRMLRXPMKR-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114250932) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114250932
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCC(C)n1ccc(Nc2ncc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-7(2)17-4-3-10(16-17)15-11-9(13)5-8(6-14-11)12(18)19/h3-7H,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyHSIXFRMLRXPMKR-UHFFFAOYSA-N
XLogP2.95
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 114250731
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
3-chloro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 64773216
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
CID 130496011
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 79249861
6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid (CID 114250932) is 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid is CC(C)n1ccc(Nc2ncc(C(=O)O)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is HSIXFRMLRXPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7(2)17-4-3-10(16-17)15-11-9(13)5-8(6-14-11)12(18)19/h3-7H,1-2H3,(H,18,19)(H,14,15,16).
What are the key properties of 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114250932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).