2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid

C7H6Cl2N2O2 — CID 122198422

IUPAC2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid
SMILESCNc1c(C(=O)O)cc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-10-5-3(7(12)13)2-4(8)11-6(5)9/h2,10H,1H3,(H,12,13)
InChIKeyXWAYOLUNDGFJDS-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.13
Rot. Bonds2

About 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid

2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid (PubChem CID 122198422) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid
PubChem CID122198422
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid
SMILESCNc1c(C(=O)O)cc(Cl)nc1Cl
InChIInChI=1S/C7H6Cl2N2O2/c1-10-5-3(7(12)13)2-4(8)11-6(5)9/h2,10H,1H3,(H,12,13)
InChIKeyXWAYOLUNDGFJDS-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-3-ethylpyridine-4-carboxylic acid
CID 87771244
2-(methylamino)benzene-1,3,5-tricarboxylic acid
CID 175012776
2,6-dichloro-3-[(3,5-dichlorophenyl)methyl]pyridine-4-carboxylic acid
CID 77134525
N-(3-acetamido-2,6-dichloro-4-pyridinyl)acetamide
CID 162624908
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 53399605
3-[(2,6-dichloro-4-methyl-3-pyridinyl)sulfamoyl]propanoic acid
CID 114051258
tert-butyl N-[2,6-dichloro-3-(methylamino)-4-pyridinyl]carbamate;2,6-dichloro-3-N-methylpyridine-3,4-diamine
CID 161153380
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 114051353
6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
methyl N-[2,6-dichloro-4-(trifluoromethoxy)-3-pyridinyl]carbamate
CID 132579428

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid (CID 122198422) is 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid is CNc1c(C(=O)O)cc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid?
The InChIKey is XWAYOLUNDGFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-10-5-3(7(12)13)2-4(8)11-6(5)9/h2,10H,1H3,(H,12,13).
What are the key properties of 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid?
2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid has a molecular weight of 221.04 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 122198422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).