5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine

C12H11BrClN3O — CID 114051940

IUPAC5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cc(Br)cnc2Cl)cn1
InChIInChI=1S/C12H11BrClN3O/c1-18-11-3-2-8(6-16-11)5-15-10-4-9(13)7-17-12(10)14/h2-4,6-7,15H,5H2,1H3
InChIKeyWMHKBKJCXITJMF-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine

5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine (PubChem CID 114051940) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
PubChem CID114051940
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cc(Br)cnc2Cl)cn1
InChIInChI=1S/C12H11BrClN3O/c1-18-11-3-2-8(6-16-11)5-15-10-4-9(13)7-17-12(10)14/h2-4,6-7,15H,5H2,1H3
InChIKeyWMHKBKJCXITJMF-UHFFFAOYSA-N
XLogP3.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
3-bromo-5-chloro-2-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936473
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114936877
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 113220323
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622866
3-chloro-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 105011735
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine (CID 114051940) is 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine is COc1ccc(CNc2cc(Br)cnc2Cl)cn1.
What is the InChIKey of 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is WMHKBKJCXITJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-18-11-3-2-8(6-16-11)5-15-10-4-9(13)7-17-12(10)14/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 328.60 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 114051940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).