3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid

C12H7Cl3N2O2 — CID 65499398

IUPAC3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2c(Cl)cccc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O2/c13-6-2-1-3-7(14)10(6)16-9-5-4-8(15)11(17-9)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyBTNFPNXMXJEIKQ-UHFFFAOYSA-N
MW317.56 g/mol
LogP4.48
Rot. Bonds3

About 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid

3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid (PubChem CID 65499398) has the molecular formula C12H7Cl3N2O2 and a molecular weight of 317.56 g/mol. Its IUPAC name is 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
PubChem CID65499398
Molecular FormulaC12H7Cl3N2O2
Molecular Weight317.56 g/mol
Exact Mass315.96
IUPAC Name3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2c(Cl)cccc2Cl)ccc1Cl
InChIInChI=1S/C12H7Cl3N2O2/c13-6-2-1-3-7(14)10(6)16-9-5-4-8(15)11(17-9)12(18)19/h1-5H,(H,16,17)(H,18,19)
InChIKeyBTNFPNXMXJEIKQ-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
CID 28976726
3-chloro-6-(2-cyano-6-methoxyanilino)pyridine-2-carboxylic acid
CID 107468702
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
CID 43808588
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280
3-chloro-6-(piperidin-1-ylamino)pyridine-2-carboxylic acid
CID 83016199
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid (CID 65499398) is 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid is O=C(O)c1nc(Nc2c(Cl)cccc2Cl)ccc1Cl.
What is the InChIKey of 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid?
The InChIKey is BTNFPNXMXJEIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O2/c13-6-2-1-3-7(14)10(6)16-9-5-4-8(15)11(17-9)12(18)19/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid?
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid has a molecular weight of 317.56 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 65499398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).