[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol

C12H7Cl3FNO — CID 134636257

IUPAC[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(F)c(-c2ccc(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C12H7Cl3FNO/c13-8-3-2-7(10(14)11(8)15)12-9(16)4-1-6(5-18)17-12/h1-4,18H,5H2
InChIKeyHPQZXNFFMQBSEZ-UHFFFAOYSA-N
MW306.55 g/mol
LogP4.34
Rot. Bonds2

About [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol

[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol (PubChem CID 134636257) has the molecular formula C12H7Cl3FNO and a molecular weight of 306.55 g/mol. Its IUPAC name is [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
PubChem CID134636257
Molecular FormulaC12H7Cl3FNO
Molecular Weight306.55 g/mol
Exact Mass304.96
IUPAC Name[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1ccc(F)c(-c2ccc(Cl)c(Cl)c2Cl)n1
InChIInChI=1S/C12H7Cl3FNO/c13-8-3-2-7(10(14)11(8)15)12-9(16)4-1-6(5-18)17-12/h1-4,18H,5H2
InChIKeyHPQZXNFFMQBSEZ-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5,6-bis(4-chlorophenyl)-2-pyridinyl]methanol
CID 134227733
[5,6-bis(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134617493
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
2-[5-methoxy-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134636450
[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625763
[6-chloro-5-(3,5-dichlorophenyl)-2-pyridinyl]methanol
CID 119006259
2-[5-fluoro-6-(2,3,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134637614
2-[6-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 118990587
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
[5-chloro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625740

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol (CID 134636257) is [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol is OCc1ccc(F)c(-c2ccc(Cl)c(Cl)c2Cl)n1.
What is the InChIKey of [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is HPQZXNFFMQBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FNO/c13-8-3-2-7(10(14)11(8)15)12-9(16)4-1-6(5-18)17-12/h1-4,18H,5H2.
What are the key properties of [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol?
[5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol has a molecular weight of 306.55 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134636257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).