3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine

C10H13BrN2O — CID 104776871

IUPAC3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
SMILESBrc1cnccc1NCC1CCOC1
InChIInChI=1S/C10H13BrN2O/c11-9-6-12-3-1-10(9)13-5-8-2-4-14-7-8/h1,3,6,8H,2,4-5,7H2,(H,12,13)
InChIKeyQSWKFMKOLPGQLO-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.29
Rot. Bonds3

About 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine

3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine (PubChem CID 104776871) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
PubChem CID104776871
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
SMILESBrc1cnccc1NCC1CCOC1
InChIInChI=1S/C10H13BrN2O/c11-9-6-12-3-1-10(9)13-5-8-2-4-14-7-8/h1,3,6,8H,2,4-5,7H2,(H,12,13)
InChIKeyQSWKFMKOLPGQLO-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(oxolan-3-ylmethyl)pyridin-4-amine
CID 130678795
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 104843497
3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 104776821
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
CID 113452023
4-bromo-3-(oxolan-3-ylmethoxy)pyridine
CID 90421245
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
3-(oxan-4-ylmethylamino)pyridine-4-carbothioamide
CID 113269693
4-bromo-1-N,1-N-dimethyl-2-N-(oxolan-3-ylmethyl)benzene-1,2-diamine
CID 43746293
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
3-(3-bromo-4-pyridinyl)-1-methyl-1-(oxolan-3-yl)urea
CID 154752262
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-4-amine
CID 104777475
6-N-(oxan-4-ylmethyl)isoquinoline-5,6-diamine
CID 106948100

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine (CID 104776871) is 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine is Brc1cnccc1NCC1CCOC1.
What is the InChIKey of 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine?
The InChIKey is QSWKFMKOLPGQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-6-12-3-1-10(9)13-5-8-2-4-14-7-8/h1,3,6,8H,2,4-5,7H2,(H,12,13).
What are the key properties of 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine?
3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine has a molecular weight of 257.13 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 104776871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).