(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol

C11H8Cl2N2O — CID 98619139

IUPAC(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-10-8(11(13)15-6-14-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H/t9-/m0/s1
InChIKeyJUVWZXZUBKJFSQ-VIFPVBQESA-N
MW255.10 g/mol
LogP2.87
Rot. Bonds2

About (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol

(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol (PubChem CID 98619139) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
PubChem CID98619139
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C11H8Cl2N2O/c12-10-8(11(13)15-6-14-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H/t9-/m0/s1
InChIKeyJUVWZXZUBKJFSQ-VIFPVBQESA-N
XLogP2.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol?
The IUPAC name of (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol (CID 98619139) is (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol.
What is the SMILES notation for (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol?
The canonical SMILES for (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol is O[C@@H](c1ccccc1)c1c(Cl)ncnc1Cl.
What is the InChIKey of (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol?
The InChIKey is JUVWZXZUBKJFSQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-10-8(11(13)15-6-14-10)9(16)7-4-2-1-3-5-7/h1-6,9,16H/t9-/m0/s1.
What are the key properties of (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol?
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol has a molecular weight of 255.10 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol is sourced from PubChem (CID 98619139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).