[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol

C12H9Cl3N2O — CID 134637818

IUPAC[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol
SMILESNc1cnc(-c2cc(Cl)c(Cl)c(Cl)c2)c(CO)c1
InChIInChI=1S/C12H9Cl3N2O/c13-9-2-6(3-10(14)11(9)15)12-7(5-18)1-8(16)4-17-12/h1-4,18H,5,16H2
InChIKeyXLIBITLMYXPGJI-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.78
Rot. Bonds2

About [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol

[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol (PubChem CID 134637818) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol
PubChem CID134637818
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol
SMILESNc1cnc(-c2cc(Cl)c(Cl)c(Cl)c2)c(CO)c1
InChIInChI=1S/C12H9Cl3N2O/c13-9-2-6(3-10(14)11(9)15)12-7(5-18)1-8(16)4-17-12/h1-4,18H,5,16H2
InChIKeyXLIBITLMYXPGJI-UHFFFAOYSA-N
XLogP3.78
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[5-amino-2-(2,6-dichlorophenyl)-3-pyridinyl]methanol
CID 133087406
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol
CID 133086714
[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134636305
[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 134629150
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
5-(3,4,5-trichlorophenyl)pyrimidin-2-amine
CID 118996100
5-amino-2-(3,4-dichlorophenyl)pyridine-3-carbonitrile
CID 133095973
5-chloro-2-(3,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 134636030
[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
CID 134630647
5,6-bis(4-chlorophenyl)pyridin-3-amine
CID 174766638
(4-amino-6-chloro-3-pyridinyl)methanol
CID 21073390

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol (CID 134637818) is [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol is Nc1cnc(-c2cc(Cl)c(Cl)c(Cl)c2)c(CO)c1.
What is the InChIKey of [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol?
The InChIKey is XLIBITLMYXPGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c13-9-2-6(3-10(14)11(9)15)12-7(5-18)1-8(16)4-17-12/h1-4,18H,5,16H2.
What are the key properties of [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol?
[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol has a molecular weight of 303.58 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 134637818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).