2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid

C13H10Cl2N2O2 — CID 129452468

IUPAC2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H10Cl2N2O2/c14-9-2-1-3-10(15)13(9)17-11-5-4-8(7-16-11)6-12(18)19/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyYDHBTUZRDWGEBA-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.76
Rot. Bonds4

About 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid

2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid (PubChem CID 129452468) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid
PubChem CID129452468
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(Nc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H10Cl2N2O2/c14-9-2-1-3-10(15)13(9)17-11-5-4-8(7-16-11)6-12(18)19/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyYDHBTUZRDWGEBA-UHFFFAOYSA-N
XLogP3.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2,3-dichlorophenyl)-3-pyridinyl]acetic acid
CID 118825001
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
sodium;2-(3-chloro-4-prop-2-enoxyphenyl)acetic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173362845
5-(2,6-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286839
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
2-[2,3,4,5-tetradeuterio-6-(2,6-dichloroanilino)phenyl]acetic acid
CID 12877529
2-[6-[[2-(2,6-difluorophenyl)-5-hydroxy-6H-pyrrolo[3,4-b]pyridin-4-yl]amino]-3-pyridinyl]acetic acid
CID 137037285
N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109117975
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid (CID 129452468) is 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(Nc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid?
The InChIKey is YDHBTUZRDWGEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-9-2-1-3-10(15)13(9)17-11-5-4-8(7-16-11)6-12(18)19/h1-5,7H,6H2,(H,16,17)(H,18,19).
What are the key properties of 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid?
2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid has a molecular weight of 297.14 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dichloroanilino)-3-pyridinyl]acetic acid is sourced from PubChem (CID 129452468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).