[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride

C10H15ClF2N2O — CID 90118862

IUPAC[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride
SMILESCc1cc(CN)ncc1OCC(C)(F)F.Cl
InChIInChI=1S/C10H14F2N2O.ClH/c1-7-3-8(4-13)14-5-9(7)15-6-10(2,11)12;/h3,5H,4,6,13H2,1-2H3;1H
InChIKeyHNGOHNLTFDZEQE-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.30
Rot. Bonds4

About [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride

[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride (PubChem CID 90118862) has the molecular formula C10H15ClF2N2O and a molecular weight of 252.69 g/mol. Its IUPAC name is [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride
PubChem CID90118862
Molecular FormulaC10H15ClF2N2O
Molecular Weight252.69 g/mol
Exact Mass252.08
IUPAC Name[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride
SMILESCc1cc(CN)ncc1OCC(C)(F)F.Cl
InChIInChI=1S/C10H14F2N2O.ClH/c1-7-3-8(4-13)14-5-9(7)15-6-10(2,11)12;/h3,5H,4,6,13H2,1-2H3;1H
InChIKeyHNGOHNLTFDZEQE-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride (CID 90118862) is [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride is Cc1cc(CN)ncc1OCC(C)(F)F.Cl.
What is the InChIKey of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride?
The InChIKey is HNGOHNLTFDZEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O.ClH/c1-7-3-8(4-13)14-5-9(7)15-6-10(2,11)12;/h3,5H,4,6,13H2,1-2H3;1H.
What are the key properties of [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride?
[5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride has a molecular weight of 252.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 90118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).