[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol

C12H8Cl3NO — CID 133088589

IUPAC[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol
SMILESOCc1c(Cl)cncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-1-2-8(11(14)3-7)9-4-16-5-12(15)10(9)6-17/h1-5,17H,6H2
InChIKeyRLSHNAWSSKSIBD-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.20
Rot. Bonds2

About [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol

[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol (PubChem CID 133088589) has the molecular formula C12H8Cl3NO and a molecular weight of 288.56 g/mol. Its IUPAC name is [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol
PubChem CID133088589
Molecular FormulaC12H8Cl3NO
Molecular Weight288.56 g/mol
Exact Mass286.97
IUPAC Name[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol
SMILESOCc1c(Cl)cncc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3NO/c13-7-1-2-8(11(14)3-7)9-4-16-5-12(15)10(9)6-17/h1-5,17H,6H2
InChIKeyRLSHNAWSSKSIBD-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine
CID 130088742
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
8-(2,4-dichlorophenyl)-1,6-naphthyridine-2-carboxamide
CID 75203010
3-(2,4-dichlorophenyl)-5-fluoropyridine-4-carbaldehyde
CID 133090824
[2-(2,4-dichlorophenyl)-5-fluorophenyl]methanol
CID 118807413
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
3-(2,4-dichlorophenyl)-4-ethynylpyridine
CID 169447929
6-chloro-5-(2,4-dichlorophenyl)pyridin-3-ol
CID 119005357
[3-(2,4-dichlorophenyl)-5-(furan-2-yl)-1,2-oxazol-4-yl]methanol
CID 131868310
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
[3-(2,4-dichlorophenyl)phenyl]methanol
CID 11139638
[5-(2,4-dichlorophenyl)-3-(2,6-difluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131867285

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol (CID 133088589) is [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol is OCc1c(Cl)cncc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol?
The InChIKey is RLSHNAWSSKSIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO/c13-7-1-2-8(11(14)3-7)9-4-16-5-12(15)10(9)6-17/h1-5,17H,6H2.
What are the key properties of [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol?
[3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol has a molecular weight of 288.56 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(2,4-dichlorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 133088589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).