(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol

C12H10Cl2N2O — CID 166243334

IUPAC(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
SMILESCc1nccnc1C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-11(16-5-4-15-7)12(17)9-3-2-8(13)6-10(9)14/h2-6,12,17H,1H3
InChIKeyTYXDHBRDYZCZCL-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.17
Rot. Bonds2

About (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol

(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol (PubChem CID 166243334) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
PubChem CID166243334
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol
SMILESCc1nccnc1C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-11(16-5-4-15-7)12(17)9-3-2-8(13)6-10(9)14/h2-6,12,17H,1H3
InChIKeyTYXDHBRDYZCZCL-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 167910776
(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101852
(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 54003137
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992
1-[3-[1-(2,4-dichlorophenyl)ethyl]pyrazin-2-yl]prop-2-yn-1-ol
CID 88662278
2-(2,4-dichlorophenyl)-2-methoxy-1-(2-methyl-3-pyridinyl)ethanol
CID 54028820
(2,4-dichlorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 114281098
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541
(2,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61270452
(2,4-dichlorophenyl)-(2-methyl-1H-pyrrol-3-yl)methanol
CID 57098054
(2,4-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816626

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol (CID 166243334) is (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol is Cc1nccnc1C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol?
The InChIKey is TYXDHBRDYZCZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-11(16-5-4-15-7)12(17)9-3-2-8(13)6-10(9)14/h2-6,12,17H,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol?
(2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol has a molecular weight of 269.13 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-methylpyrazin-2-yl)methanol is sourced from PubChem (CID 166243334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).