[2-(3,4-dichloroanilino)-3-pyridinyl]methanol

C12H10Cl2N2O — CID 14739451

IUPAC[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
SMILESOCc1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12-8(7-17)2-1-5-15-12/h1-6,17H,7H2,(H,15,16)
InChIKeyOZHJRQOMEMCGOO-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.62
Rot. Bonds3

About [2-(3,4-dichloroanilino)-3-pyridinyl]methanol

[2-(3,4-dichloroanilino)-3-pyridinyl]methanol (PubChem CID 14739451) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
PubChem CID14739451
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
SMILESOCc1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12-8(7-17)2-1-5-15-12/h1-6,17H,7H2,(H,15,16)
InChIKeyOZHJRQOMEMCGOO-UHFFFAOYSA-N
XLogP3.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[2-(3,4-dichloroanilino)-3-pyridinyl]acetate
CID 67938917
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
CID 18956142
[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
CID 82087006
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 82341834
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 23632578
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
3-(3,4-dichloroanilino)pyrazine-2-carboxamide
CID 122372729

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-3-pyridinyl]methanol?
The IUPAC name of [2-(3,4-dichloroanilino)-3-pyridinyl]methanol (CID 14739451) is [2-(3,4-dichloroanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,4-dichloroanilino)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,4-dichloroanilino)-3-pyridinyl]methanol is OCc1cccnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-3-pyridinyl]methanol?
The InChIKey is OZHJRQOMEMCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-4-3-9(6-11(10)14)16-12-8(7-17)2-1-5-15-12/h1-6,17H,7H2,(H,15,16).
What are the key properties of [2-(3,4-dichloroanilino)-3-pyridinyl]methanol?
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol has a molecular weight of 269.13 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 14739451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).