N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine

C7H9ClN2 — CID 171382347

IUPACN-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine
SMILES[2H]C([2H])([2H])NCc1cc(Cl)ccn1
InChIInChI=1S/C7H9ClN2/c1-9-5-7-4-6(8)2-3-10-7/h2-4,9H,5H2,1H3/i1D3
InChIKeyIJVFBZXCXLCBFD-FIBGUPNXSA-N
MW159.63 g/mol
LogP1.45
Rot. Bonds3

About N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine

N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine (PubChem CID 171382347) has the molecular formula C7H9ClN2 and a molecular weight of 159.63 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine
PubChem CID171382347
Molecular FormulaC7H9ClN2
Molecular Weight159.63 g/mol
Exact Mass159.06
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine
SMILES[2H]C([2H])([2H])NCc1cc(Cl)ccn1
InChIInChI=1S/C7H9ClN2/c1-9-5-7-4-6(8)2-3-10-7/h2-4,9H,5H2,1H3/i1D3
InChIKeyIJVFBZXCXLCBFD-FIBGUPNXSA-N
XLogP1.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.63
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine (CID 171382347) is N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine is [2H]C([2H])([2H])NCc1cc(Cl)ccn1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine?
The InChIKey is IJVFBZXCXLCBFD-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-9-5-7-4-6(8)2-3-10-7/h2-4,9H,5H2,1H3/i1D3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine?
N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine has a molecular weight of 159.63 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-1,1,1-trideuteriomethanamine is sourced from PubChem (CID 171382347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).