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

C16H14Cl3NO2 — CID 137367030

IUPAC[6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)c(OCC2CC2)c(Cl)n1
InChIInChI=1S/C16H14Cl3NO2/c17-13-4-3-10(5-14(13)18)12-6-11(7-21)20-16(19)15(12)22-8-9-1-2-9/h3-6,9,21H,1-2,7-8H2
InChIKeyYLQZESCDKNTAMX-UHFFFAOYSA-N
MW358.65 g/mol
LogP4.99
Rot. Bonds5

About [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol

[6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol (PubChem CID 137367030) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol
PubChem CID137367030
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name[6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(Cl)c(Cl)c2)c(OCC2CC2)c(Cl)n1
InChIInChI=1S/C16H14Cl3NO2/c17-13-4-3-10(5-14(13)18)12-6-11(7-21)20-16(19)15(12)22-8-9-1-2-9/h3-6,9,21H,1-2,7-8H2
InChIKeyYLQZESCDKNTAMX-UHFFFAOYSA-N
XLogP4.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol (CID 137367030) is [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol is OCc1cc(-c2ccc(Cl)c(Cl)c2)c(OCC2CC2)c(Cl)n1.
What is the InChIKey of [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol?
The InChIKey is YLQZESCDKNTAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c17-13-4-3-10(5-14(13)18)12-6-11(7-21)20-16(19)15(12)22-8-9-1-2-9/h3-6,9,21H,1-2,7-8H2.
What are the key properties of [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol?
[6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol has a molecular weight of 358.65 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(cyclopropylmethoxy)-4-(3,4-dichlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 137367030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).