6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid

C11H10ClN3O2S — CID 55184898

IUPAC6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCN(Cc1cscn1)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H10ClN3O2S/c1-15(4-7-5-18-6-13-7)10-8(11(16)17)2-3-9(12)14-10/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyCWMBLIPYYSOEOA-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.53
Rot. Bonds4

About 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 55184898) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID55184898
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCN(Cc1cscn1)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H10ClN3O2S/c1-15(4-7-5-18-6-13-7)10-8(11(16)17)2-3-9(12)14-10/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyCWMBLIPYYSOEOA-UHFFFAOYSA-N
XLogP2.53
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62701330
2,3-difluoro-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 107935631
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 63824843
6-chloro-2-[(2-fluorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 63379855
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
2-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-oxoethyl]benzoic acid
CID 115923742
6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 63728838

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid (CID 55184898) is 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid is CN(Cc1cscn1)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is CWMBLIPYYSOEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-15(4-7-5-18-6-13-7)10-8(11(16)17)2-3-9(12)14-10/h2-3,5-6H,4H2,1H3,(H,16,17).
What are the key properties of 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55184898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).