[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol

C12H10Cl2N2O — CID 118997102

IUPAC[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
SMILESNc1ncc(CO)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-8-1-2-11(14)9(4-8)10-3-7(6-17)5-16-12(10)15/h1-5,17H,6H2,(H2,15,16)
InChIKeyWRRIMAWWYMZPJP-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.13
Rot. Bonds2

About [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol

[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol (PubChem CID 118997102) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
PubChem CID118997102
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol
SMILESNc1ncc(CO)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O/c13-8-1-2-11(14)9(4-8)10-3-7(6-17)5-16-12(10)15/h1-5,17H,6H2,(H2,15,16)
InChIKeyWRRIMAWWYMZPJP-UHFFFAOYSA-N
XLogP3.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol (CID 118997102) is [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol is Nc1ncc(CO)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol?
The InChIKey is WRRIMAWWYMZPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-8-1-2-11(14)9(4-8)10-3-7(6-17)5-16-12(10)15/h1-5,17H,6H2,(H2,15,16).
What are the key properties of [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol?
[6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol has a molecular weight of 269.13 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-(2,5-dichlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118997102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).