(2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol

C18H13BrClNO — CID 56658799

IUPAC(2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Br
InChIInChI=1S/C18H13BrClNO/c19-17-6-2-1-5-16(17)18(22,14-4-3-11-21-12-14)13-7-9-15(20)10-8-13/h1-12,22H
InChIKeyGUCUVVUQLSZNSI-UHFFFAOYSA-N
MW374.67 g/mol
LogP4.78
Rot. Bonds3

About (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol

(2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 56658799) has the molecular formula C18H13BrClNO and a molecular weight of 374.67 g/mol. Its IUPAC name is (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID56658799
Molecular FormulaC18H13BrClNO
Molecular Weight374.67 g/mol
Exact Mass372.99
IUPAC Name(2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Br
InChIInChI=1S/C18H13BrClNO/c19-17-6-2-1-5-16(17)18(22,14-4-3-11-21-12-14)13-7-9-15(20)10-8-13/h1-12,22H
InChIKeyGUCUVVUQLSZNSI-UHFFFAOYSA-N
XLogP4.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol (CID 56658799) is (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is GUCUVVUQLSZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO/c19-17-6-2-1-5-16(17)18(22,14-4-3-11-21-12-14)13-7-9-15(20)10-8-13/h1-12,22H.
What are the key properties of (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
(2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 374.67 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56658799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).