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

C12H9BrCl2N2 — CID 115606070

IUPAC(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1ccc(Br)cn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H9BrCl2N2/c13-7-1-4-11(17-6-7)12(16)9-5-8(14)2-3-10(9)15/h1-6,12H,16H2
InChIKeyKBMLXEYLIPOZQN-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.20
Rot. Bonds2

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

(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine (PubChem CID 115606070) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
PubChem CID115606070
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name(5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine
SMILESNC(c1ccc(Br)cn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H9BrCl2N2/c13-7-1-4-11(17-6-7)12(16)9-5-8(14)2-3-10(9)15/h1-6,12H,16H2
InChIKeyKBMLXEYLIPOZQN-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-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
(5-bromo-2-pyridinyl)-(2,3-dichlorophenyl)methanamine
CID 113398377
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
5-bromo-2-[2-chloro-1-(2,4-dichlorophenyl)ethyl]pyridine
CID 143396653
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
1-(2-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114027189
(5-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107289316
3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270641
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 105037869
1-(5-bromo-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 113393945

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine?
The IUPAC name of (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine (CID 115606070) is (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine is NC(c1ccc(Br)cn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine?
The InChIKey is KBMLXEYLIPOZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-7-1-4-11(17-6-7)12(16)9-5-8(14)2-3-10(9)15/h1-6,12H,16H2.
What are the key properties of (5-bromo-2-pyridinyl)-(2,5-dichlorophenyl)methanamine?
(5-bromo-2-pyridinyl)-(2,5-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)-(2,5-dichlorophenyl)methanamine is sourced from PubChem (CID 115606070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).