(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride

C9H13ClN2O2 — CID 178103167

IUPAC(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
SMILESCOc1ccncc1C(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6(10)9(12)7-5-11-4-3-8(7)13-2;/h3-6H,10H2,1-2H3;1H/t6-;/m0./s1
InChIKeyGQKKFHFQYHTGTJ-RGMNGODLSA-N
MW216.67 g/mol
LogP1.04
Rot. Bonds3

About (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride

(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride (PubChem CID 178103167) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
PubChem CID178103167
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
SMILESCOc1ccncc1C(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-6(10)9(12)7-5-11-4-3-8(7)13-2;/h3-6H,10H2,1-2H3;1H/t6-;/m0./s1
InChIKeyGQKKFHFQYHTGTJ-RGMNGODLSA-N
XLogP1.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 84676126
4-methoxypyridine-3-carboxylate
CID 26119064
formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
4-(trideuteriomethoxy)pyridine-3-carboxamide
CID 90115030
(3-methoxy-4-pyridinyl) carbamate
CID 90285344
2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 84706087
methyl 4-propan-2-yloxypyridine-3-carboxylate
CID 132587581
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
(2S)-2-amino-N-(4-methoxy-3-pyridinyl)butanamide;dihydrochloride
CID 119868833
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride (CID 178103167) is (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride is COc1ccncc1C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride?
The InChIKey is GQKKFHFQYHTGTJ-RGMNGODLSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-6(10)9(12)7-5-11-4-3-8(7)13-2;/h3-6H,10H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride is sourced from PubChem (CID 178103167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).