1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol

C16H17Cl2NO — CID 22257676

IUPAC1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccnc(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-10(2)16(20)12-5-6-19-13(9-12)7-11-3-4-14(17)15(18)8-11/h3-6,8-10,16,20H,7H2,1-2H3
InChIKeyJRPHTJJIIBLWBV-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.67
Rot. Bonds4

About 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol

1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol (PubChem CID 22257676) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol
PubChem CID22257676
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccnc(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-10(2)16(20)12-5-6-19-13(9-12)7-11-3-4-14(17)15(18)8-11/h3-6,8-10,16,20H,7H2,1-2H3
InChIKeyJRPHTJJIIBLWBV-UHFFFAOYSA-N
XLogP4.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol (CID 22257676) is 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol is CC(C)C(O)c1ccnc(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol?
The InChIKey is JRPHTJJIIBLWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10(2)16(20)12-5-6-19-13(9-12)7-11-3-4-14(17)15(18)8-11/h3-6,8-10,16,20H,7H2,1-2H3.
What are the key properties of 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol?
1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 310.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dichlorophenyl)methyl]-4-pyridinyl]-2-methylpropan-1-ol is sourced from PubChem (CID 22257676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).