(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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Related Compounds

(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
CID 81447194
(2-amino-5-chloro-3-pyridinyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790898
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
CID 66046118
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
CID 81215844
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
3-[(3-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105194796
(2-bromo-5-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782172
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779

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).