(2S)-2-amino-3-pyridin-4-ylpropanal

C8H10N2O — CID 22827621

IUPAC(2S)-2-amino-3-pyridin-4-ylpropanal
SMILESN[C@H](C=O)Cc1ccncc1
InChIInChI=1S/C8H10N2O/c9-8(6-11)5-7-1-3-10-4-2-7/h1-4,6,8H,5,9H2/t8-/m0/s1
InChIKeyMFGFXYQPYPPPNH-QMMMGPOBSA-N
MW150.18 g/mol
LogP0.15
Rot. Bonds3

About (2S)-2-amino-3-pyridin-4-ylpropanal

(2S)-2-amino-3-pyridin-4-ylpropanal (PubChem CID 22827621) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (2S)-2-amino-3-pyridin-4-ylpropanal.

Molecular Properties

Compound Name(2S)-2-amino-3-pyridin-4-ylpropanal
PubChem CID22827621
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(2S)-2-amino-3-pyridin-4-ylpropanal
SMILESN[C@H](C=O)Cc1ccncc1
InChIInChI=1S/C8H10N2O/c9-8(6-11)5-7-1-3-10-4-2-7/h1-4,6,8H,5,9H2/t8-/m0/s1
InChIKeyMFGFXYQPYPPPNH-QMMMGPOBSA-N
XLogP0.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-ethenylphenyl)propanal;methane
CID 145160509
(3S)-3-amino-2-oxo-4-pyridin-4-ylbutanoic acid
CID 169109798
potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide
CID 159455971
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
2-pyridin-4-ylacetaldehyde
CID 18688704
2-amino-3-(3,4-difluorophenyl)propanal
CID 23499806
2-amino-3-pyridin-2-ylpropanal
CID 22556784
(2R)-2-amino-3-[3-(aminomethyl)phenyl]propanal
CID 169024938
2-amino-3-(3-methylphenyl)propanal
CID 82415099
S-methyl (2S)-2-amino-3-pyridin-4-ylpropanethioate
CID 167273372
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342
1-(4-iodophenyl)-3-pyridin-4-ylpropan-2-amine
CID 65476489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyridin-4-ylpropanal?
The IUPAC name of (2S)-2-amino-3-pyridin-4-ylpropanal (CID 22827621) is (2S)-2-amino-3-pyridin-4-ylpropanal.
What is the SMILES notation for (2S)-2-amino-3-pyridin-4-ylpropanal?
The canonical SMILES for (2S)-2-amino-3-pyridin-4-ylpropanal is N[C@H](C=O)Cc1ccncc1.
What is the InChIKey of (2S)-2-amino-3-pyridin-4-ylpropanal?
The InChIKey is MFGFXYQPYPPPNH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(6-11)5-7-1-3-10-4-2-7/h1-4,6,8H,5,9H2/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-pyridin-4-ylpropanal?
(2S)-2-amino-3-pyridin-4-ylpropanal has a molecular weight of 150.18 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyridin-4-ylpropanal is sourced from PubChem (CID 22827621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).