6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H17BrN2O — CID 58284609

IUPAC6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2cccc(Br)n2)CCOCC1
InChIInChI=1S/C12H17BrN2O/c1-12(5-7-16-8-6-12)9-14-11-4-2-3-10(13)15-11/h2-4H,5-9H2,1H3,(H,14,15)
InChIKeyPVJUZGQYHLZPAD-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.07
Rot. Bonds3

About 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 58284609) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID58284609
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2cccc(Br)n2)CCOCC1
InChIInChI=1S/C12H17BrN2O/c1-12(5-7-16-8-6-12)9-14-11-4-2-3-10(13)15-11/h2-4H,5-9H2,1H3,(H,14,15)
InChIKeyPVJUZGQYHLZPAD-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 71870975
CID 71870975
CID 7164599
CID 7164599
CID 63961304
CID 63961304
CID 57328191
CID 57328191
CID 71871023
CID 71871023
CID 72003601
CID 72003601
CID 58127276
CID 58127276
CID 58127349
CID 58127349
CID 58284649
CID 58284649
CID 66937075
CID 66937075
CID 66937129
CID 66937129
CID 67043216
CID 67043216

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 58284609) is 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2cccc(Br)n2)CCOCC1.
What is the InChIKey of 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is PVJUZGQYHLZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(5-7-16-8-6-12)9-14-11-4-2-3-10(13)15-11/h2-4H,5-9H2,1H3,(H,14,15).
What are the key properties of 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 285.18 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 58284609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).