(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine

C12H9BrCl2N2 — CID 113398377

IUPAC(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1ccc(Br)cn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H9BrCl2N2/c13-7-4-5-10(17-6-7)12(16)8-2-1-3-9(14)11(8)15/h1-6,12H,16H2
InChIKeyIAGCVKBWIUNIEX-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.20
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine

(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine (PubChem CID 113398377) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine
PubChem CID113398377
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine
SMILESNC(c1ccc(Br)cn1)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H9BrCl2N2/c13-7-4-5-10(17-6-7)12(16)8-2-1-3-9(14)11(8)15/h1-6,12H,16H2
InChIKeyIAGCVKBWIUNIEX-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
CID 115606070
5-bromo-2-[(2,6-dichlorophenyl)-isocyanomethyl]pyridine
CID 21354222
(3-bromo-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(2,3-dichlorophenyl)methanediamine
CID 139660481
(2,3-dichlorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559065
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
N-[1-(5-bromo-2-pyridinyl)-2-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 107309029
(2,3-dichlorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115851182
(2,3-dichlorophenyl)-quinolin-4-ylmethanamine
CID 105141880
(2,3-dichlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853206
[(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105267826
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine?
The IUPAC name of (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine (CID 113398377) is (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine is NC(c1ccc(Br)cn1)c1cccc(Cl)c1Cl.
What is the InChIKey of (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine?
The InChIKey is IAGCVKBWIUNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-7-4-5-10(17-6-7)12(16)8-2-1-3-9(14)11(8)15/h1-6,12H,16H2.
What are the key properties of (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine?
(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine has a molecular weight of 332.03 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine is sourced from PubChem (CID 113398377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).