(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol

C13H12BrClN2O — CID 81447194

IUPAC(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Cl)cnc2N)ccc1Br
InChIInChI=1S/C13H12BrClN2O/c1-7-4-8(2-3-11(7)14)12(18)10-5-9(15)6-17-13(10)16/h2-6,12,18H,1H3,(H2,16,17)
InChIKeyOZRKHTQVQNDWCD-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.47
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol

(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol (PubChem CID 81447194) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
PubChem CID81447194
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(Cl)cnc2N)ccc1Br
InChIInChI=1S/C13H12BrClN2O/c1-7-4-8(2-3-11(7)14)12(18)10-5-9(15)6-17-13(10)16/h2-6,12,18H,1H3,(H2,16,17)
InChIKeyOZRKHTQVQNDWCD-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-methyl-3-pyridinyl)-(2-bromo-5-chlorophenyl)methanol
CID 66156485
(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
CID 115527838
(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methanol
CID 81447497
(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
CID 105402842
(2-amino-5-chloro-3-pyridinyl)-(2-methoxy-4-methylphenyl)methanol
CID 106790898
(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
CID 65362465
5-chloro-3-[hydrazinyl-(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 105258421
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-bromophenyl)sulfanylethanol
CID 66056077
(4-bromo-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707423
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol (CID 81447194) is (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol is Cc1cc(C(O)c2cc(Cl)cnc2N)ccc1Br.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol?
The InChIKey is OZRKHTQVQNDWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-7-4-8(2-3-11(7)14)12(18)10-5-9(15)6-17-13(10)16/h2-6,12,18H,1H3,(H2,16,17).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol?
(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)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-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol is sourced from PubChem (CID 81447194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).