5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine

C11H15BrFN3O — CID 104918997

IUPAC5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCOC(CNc2ncc(Br)cc2F)C1
InChIInChI=1S/C11H15BrFN3O/c1-16-2-3-17-9(7-16)6-15-11-10(13)4-8(12)5-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyHOXKMCHVHLYUPX-UHFFFAOYSA-N
MW304.16 g/mol
LogP1.73
Rot. Bonds3

About 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine

5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine (PubChem CID 104918997) has the molecular formula C11H15BrFN3O and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
PubChem CID104918997
Molecular FormulaC11H15BrFN3O
Molecular Weight304.16 g/mol
Exact Mass303.04
IUPAC Name5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCOC(CNc2ncc(Br)cc2F)C1
InChIInChI=1S/C11H15BrFN3O/c1-16-2-3-17-9(7-16)6-15-11-10(13)4-8(12)5-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyHOXKMCHVHLYUPX-UHFFFAOYSA-N
XLogP1.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dibromopyridin-2-yl)-2-(morpholin-4-yl)acetamide
CID 661163
N-(5-bromo-2-pyridinyl)-2-(4-morpholinyl)acetamide
CID 1237386
1-(5-Bromo-2-pyridyl)-3-(2-morpholinoethyl)thiourea
CID 3001930
4-(5-Bromopyridin-2-yl)morpholine
CID 10966724
1-(5-Bromo-pyridin-2-yl)-3-morpholin-4-ylmethyl-thiourea
CID 44287853
N-(5-bromopyridin-2-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6467618
5-Bromo-(2-morpholinoethylamino)pyridine
CID 23438259
4-(3,5-Dibromopyridin-2-yl)morpholine
CID 66545210
4-(4-Bromopyridin-2-yl)morpholine
CID 51063918
5-bromo-N-[(1S,2S)-2-methoxycyclohex-3-en-1-yl]pyridin-2-amine
CID 54757429
5-bromo-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71871023
4-(5-Bromo-2-pyridinyl)morpholine-2-carboxamide
CID 72005277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine (CID 104918997) is 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine is CN1CCOC(CNc2ncc(Br)cc2F)C1.
What is the InChIKey of 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The InChIKey is HOXKMCHVHLYUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN3O/c1-16-2-3-17-9(7-16)6-15-11-10(13)4-8(12)5-14-11/h4-5,9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine has a molecular weight of 304.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 104918997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).