(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol

C13H12BrClN2O — CID 66156485

IUPAC(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol
SMILESCc1cnc(N)c(C(O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C13H12BrClN2O/c1-7-4-10(13(16)17-6-7)12(18)9-5-8(15)2-3-11(9)14/h2-6,12,18H,1H3,(H2,16,17)
InChIKeyBVVLOAYYIHGVAL-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.47
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol

(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol (PubChem CID 66156485) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol
PubChem CID66156485
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol
SMILESCc1cnc(N)c(C(O)c2cc(Cl)ccc2Br)c1
InChIInChI=1S/C13H12BrClN2O/c1-7-4-10(13(16)17-6-7)12(18)9-5-8(15)2-3-11(9)14/h2-6,12,18H,1H3,(H2,16,17)
InChIKeyBVVLOAYYIHGVAL-UHFFFAOYSA-N
XLogP3.47
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol (CID 66156485) is (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol is Cc1cnc(N)c(C(O)c2cc(Cl)ccc2Br)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol?
The InChIKey is BVVLOAYYIHGVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-7-4-10(13(16)17-6-7)12(18)9-5-8(15)2-3-11(9)14/h2-6,12,18H,1H3,(H2,16,17).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol?
(2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol has a molecular weight of 327.61 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol is sourced from PubChem (CID 66156485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).