5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine

C11H14ClFN2O — CID 115681781

IUPAC5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1F)C1CCOC1
InChIInChI=1S/C11H14ClFN2O/c1-7(8-2-3-16-6-8)15-11-10(13)4-9(12)5-14-11/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyAJDGZEATOQLGGA-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.71
Rot. Bonds3

About 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine

5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine (PubChem CID 115681781) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
PubChem CID115681781
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncc(Cl)cc1F)C1CCOC1
InChIInChI=1S/C11H14ClFN2O/c1-7(8-2-3-16-6-8)15-11-10(13)4-9(12)5-14-11/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChIKeyAJDGZEATOQLGGA-UHFFFAOYSA-N
XLogP2.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyclobutylethyl)-3-fluoropyridin-2-amine
CID 115766716
5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
CID 79727736
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
N-(1-cyclohexylethyl)-3,5-difluoropyridin-2-amine
CID 112675822
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
4-fluoro-3-methoxy-N-[1-(oxolan-3-yl)ethyl]aniline
CID 114838689
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
6-chloro-N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115928689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine (CID 115681781) is 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine is CC(Nc1ncc(Cl)cc1F)C1CCOC1.
What is the InChIKey of 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
The InChIKey is AJDGZEATOQLGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(8-2-3-16-6-8)15-11-10(13)4-9(12)5-14-11/h4-5,7-8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine has a molecular weight of 244.70 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115681781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).