4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid

C13H10Cl2N2O2 — CID 81233036

IUPAC4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)c(C(=O)O)cn1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-2-12(11(6-16-7)13(18)19)17-10-4-8(14)3-9(15)5-10/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyGXSGCTDNPHIBSR-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.14
Rot. Bonds3

About 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid

4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81233036) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81233036
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(Nc2cc(Cl)cc(Cl)c2)c(C(=O)O)cn1
InChIInChI=1S/C13H10Cl2N2O2/c1-7-2-12(11(6-16-7)13(18)19)17-10-4-8(14)3-9(15)5-10/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyGXSGCTDNPHIBSR-UHFFFAOYSA-N
XLogP4.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 104724456
N-(3,5-dichlorophenyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256534
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid (CID 81233036) is 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid is Cc1cc(Nc2cc(Cl)cc(Cl)c2)c(C(=O)O)cn1.
What is the InChIKey of 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is GXSGCTDNPHIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-7-2-12(11(6-16-7)13(18)19)17-10-4-8(14)3-9(15)5-10/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid?
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 297.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).