5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H16ClFN2O — CID 103743095

IUPAC5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Cl)cc2F)CCOCC1
InChIInChI=1S/C12H16ClFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyLLROTGCLFBXZCU-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.10
Rot. Bonds3

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

5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 103743095) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID103743095
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Cl)cc2F)CCOCC1
InChIInChI=1S/C12H16ClFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyLLROTGCLFBXZCU-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 103743095) is 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2ncc(Cl)cc2F)CCOCC1.
What is the InChIKey of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is LLROTGCLFBXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 258.72 g/mol, XLogP of 3.10, 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-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103743095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).