(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride

C13H14ClN3O2 — CID 174448756

IUPAC(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
SMILESCl.NC(COC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H13N3O2.ClH/c14-10(11-5-1-3-7-15-11)9-18-13(17)12-6-2-4-8-16-12;/h1-8,10H,9,14H2;1H
InChIKeyNGCPPYAIYAMVML-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.76
Rot. Bonds4

About (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride

(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride (PubChem CID 174448756) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
PubChem CID174448756
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
SMILESCl.NC(COC(=O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H13N3O2.ClH/c14-10(11-5-1-3-7-15-11)9-18-13(17)12-6-2-4-8-16-12;/h1-8,10H,9,14H2;1H
InChIKeyNGCPPYAIYAMVML-UHFFFAOYSA-N
XLogP1.76
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
CID 174416527
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
ethyl pyridine-2-carboxylate
CID 17307
2-methylpentyl pyridine-2-carboxylate
CID 150671770
(4-amino-2,3-dimethyl-4-oxobutyl) pyridine-2-carboxylate
CID 67908094
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
1-aminoethyl pyridine-2-carboxylate
CID 141264689
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
2-ethylhexyl pyridine-2-carboxylate
CID 46198409
4-amino-4-pyridin-2-ylbutanoic acid
CID 55292382
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride?
The IUPAC name of (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride (CID 174448756) is (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride is Cl.NC(COC(=O)c1ccccn1)c1ccccn1.
What is the InChIKey of (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride?
The InChIKey is NGCPPYAIYAMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2.ClH/c14-10(11-5-1-3-7-15-11)9-18-13(17)12-6-2-4-8-16-12;/h1-8,10H,9,14H2;1H.
What are the key properties of (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride?
(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride has a molecular weight of 279.73 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 174448756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).