5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine

C14H16ClFN4O — CID 100694634

IUPAC5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(Cl)cc1F
InChIInChI=1S/C14H16ClFN4O/c1-20-12(2-4-19-20)13-9(3-5-21-13)7-17-14-11(16)6-10(15)8-18-14/h2,4,6,8-9,13H,3,5,7H2,1H3,(H,17,18)/t9-,13+/m0/s1
InChIKeyJGVSBFKNGXXTIO-TVQRCGJNSA-N
MW310.76 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine

5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine (PubChem CID 100694634) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine
PubChem CID100694634
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(Cl)cc1F
InChIInChI=1S/C14H16ClFN4O/c1-20-12(2-4-19-20)13-9(3-5-21-13)7-17-14-11(16)6-10(15)8-18-14/h2,4,6,8-9,13H,3,5,7H2,1H3,(H,17,18)/t9-,13+/m0/s1
InChIKeyJGVSBFKNGXXTIO-TVQRCGJNSA-N
XLogP2.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine (CID 100694634) is 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine is Cn1nccc1[C@@H]1OCC[C@H]1CNc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine?
The InChIKey is JGVSBFKNGXXTIO-TVQRCGJNSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-20-12(2-4-19-20)13-9(3-5-21-13)7-17-14-11(16)6-10(15)8-18-14/h2,4,6,8-9,13H,3,5,7H2,1H3,(H,17,18)/t9-,13+/m0/s1.
What are the key properties of 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine has a molecular weight of 310.76 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 100694634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).