3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid

C13H15ClN4O2 — CID 79241520

IUPAC3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H15ClN4O2/c1-7-9(8(2)18(3)17-7)6-15-11-5-4-10(14)12(16-11)13(19)20/h4-5H,6H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyFJTLTGVXIPXRKU-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.40
Rot. Bonds4

About 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid

3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 79241520) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID79241520
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C13H15ClN4O2/c1-7-9(8(2)18(3)17-7)6-15-11-5-4-10(14)12(16-11)13(19)20/h4-5H,6H2,1-3H3,(H,15,16)(H,19,20)
InChIKeyFJTLTGVXIPXRKU-UHFFFAOYSA-N
XLogP2.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647
6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 78990644
2,3-difluoro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoic acid
CID 79835108
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
2,6-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenol
CID 107678888
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1,2-thiazole-4-carboxylic acid
CID 79401995
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
ethyl 6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylate
CID 79034168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid (CID 79241520) is 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid is Cc1nn(C)c(C)c1CNc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is FJTLTGVXIPXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-7-9(8(2)18(3)17-7)6-15-11-5-4-10(14)12(16-11)13(19)20/h4-5H,6H2,1-3H3,(H,15,16)(H,19,20).
What are the key properties of 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 79241520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).