5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine

C10H12BrFN2O2 — CID 104923956

IUPAC5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCC1COCCO1
InChIInChI=1S/C10H12BrFN2O2/c11-7-3-9(12)10(13-4-7)14-5-8-6-15-1-2-16-8/h3-4,8H,1-2,5-6H2,(H,13,14)
InChIKeyUJBNAUZCNNVMPC-UHFFFAOYSA-N
MW291.12 g/mol
LogP1.81
Rot. Bonds3

About 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine

5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine (PubChem CID 104923956) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
PubChem CID104923956
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCC1COCCO1
InChIInChI=1S/C10H12BrFN2O2/c11-7-3-9(12)10(13-4-7)14-5-8-6-15-1-2-16-8/h3-4,8H,1-2,5-6H2,(H,13,14)
InChIKeyUJBNAUZCNNVMPC-UHFFFAOYSA-N
XLogP1.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
2-chloro-N-(1,4-dioxan-2-ylmethyl)-5-fluoropyrimidin-4-amine
CID 79080521
5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
CID 66340765
3-bromo-2-N-(1,4-dioxan-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 104506484
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81440048
5-bromo-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796894
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882
N-[(5-bromo-3-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 104796776
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103580137
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 104924301

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine (CID 104923956) is 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine is Fc1cc(Br)cnc1NCC1COCCO1.
What is the InChIKey of 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine?
The InChIKey is UJBNAUZCNNVMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c11-7-3-9(12)10(13-4-7)14-5-8-6-15-1-2-16-8/h3-4,8H,1-2,5-6H2,(H,13,14).
What are the key properties of 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine?
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine has a molecular weight of 291.12 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 104923956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).