3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine

C12H12BrN3O — CID 104776820

IUPAC3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
SMILESCOc1ncccc1CNc1ccncc1Br
InChIInChI=1S/C12H12BrN3O/c1-17-12-9(3-2-5-15-12)7-16-11-4-6-14-8-10(11)13/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyOKLYQDYSWQZCDZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.86
Rot. Bonds4

About 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine

3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine (PubChem CID 104776820) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
PubChem CID104776820
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
SMILESCOc1ncccc1CNc1ccncc1Br
InChIInChI=1S/C12H12BrN3O/c1-17-12-9(3-2-5-15-12)7-16-11-4-6-14-8-10(11)13/h2-6,8H,7H2,1H3,(H,14,16)
InChIKeyOKLYQDYSWQZCDZ-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
CID 104777182
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-5-nitropyridin-2-amine
CID 79535598
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 79399734
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
CID 61373121
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
1-(2,5-dibromophenyl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 55698371

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine (CID 104776820) is 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine is COc1ncccc1CNc1ccncc1Br.
What is the InChIKey of 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine?
The InChIKey is OKLYQDYSWQZCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-17-12-9(3-2-5-15-12)7-16-11-4-6-14-8-10(11)13/h2-6,8H,7H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine?
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine has a molecular weight of 294.15 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine is sourced from PubChem (CID 104776820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).