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

C12H9Cl3N2O — CID 133086599

IUPAC[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
SMILESNc1nccc(CO)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O/c13-8-4-10(15)9(14)3-7(8)11-6(5-18)1-2-17-12(11)16/h1-4,18H,5H2,(H2,16,17)
InChIKeyVEBSMGJXTOIDKV-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.78
Rot. Bonds2

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

[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol (PubChem CID 133086599) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
PubChem CID133086599
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
SMILESNc1nccc(CO)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O/c13-8-4-10(15)9(14)3-7(8)11-6(5-18)1-2-17-12(11)16/h1-4,18H,5H2,(H2,16,17)
InChIKeyVEBSMGJXTOIDKV-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_1', 'substructure': 'N/A'}

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Related Compounds

[2-amino-3-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119005469
[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134625713
2-[3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134621276
3-(2,4,5-trichlorophenyl)pyridin-2-amine
CID 119020095
[2-amino-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134618432
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
3-iodo-4-(iodomethyl)pyridin-2-amine
CID 118657346
2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
CID 119004294
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569
[3,5-bis(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134623378
[5-amino-2-(2,6-dichlorophenyl)-3-pyridinyl]methanol
CID 133087406

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol (CID 133086599) is [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol is Nc1nccc(CO)c1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The InChIKey is VEBSMGJXTOIDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c13-8-4-10(15)9(14)3-7(8)11-6(5-18)1-2-17-12(11)16/h1-4,18H,5H2,(H2,16,17).
What are the key properties of [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol?
[2-amino-3-(2,4,5-trichlorophenyl)-4-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 [2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 133086599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).