ethyl propanoate;pyridin-3-amine;dihydrochloride

C10H18Cl2N2O2 — CID 174751108

IUPACethyl propanoate;pyridin-3-amine;dihydrochloride
SMILESCCOC(=O)CC.Cl.Cl.Nc1cccnc1
InChIInChI=1S/C5H6N2.C5H10O2.2ClH/c6-5-2-1-3-7-4-5;1-3-5(6)7-4-2;;/h1-4H,6H2;3-4H2,1-2H3;2*1H
InChIKeyCEBRIXJDWSAXSO-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.47
Rot. Bonds2

About ethyl propanoate;pyridin-3-amine;dihydrochloride

ethyl propanoate;pyridin-3-amine;dihydrochloride (PubChem CID 174751108) has the molecular formula C10H18Cl2N2O2 and a molecular weight of 269.17 g/mol. Its IUPAC name is ethyl propanoate;pyridin-3-amine;dihydrochloride.

Molecular Properties

Compound Nameethyl propanoate;pyridin-3-amine;dihydrochloride
PubChem CID174751108
Molecular FormulaC10H18Cl2N2O2
Molecular Weight269.17 g/mol
Exact Mass268.07
IUPAC Nameethyl propanoate;pyridin-3-amine;dihydrochloride
SMILESCCOC(=O)CC.Cl.Cl.Nc1cccnc1
InChIInChI=1S/C5H6N2.C5H10O2.2ClH/c6-5-2-1-3-7-4-5;1-3-5(6)7-4-2;;/h1-4H,6H2;3-4H2,1-2H3;2*1H
InChIKeyCEBRIXJDWSAXSO-UHFFFAOYSA-N
XLogP2.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

molecular hydrogen;propane;pyridin-3-amine
CID 156868620
hydrogen peroxide;pyridin-3-amine
CID 87884226
ethyl propanoate;pyrimidin-2-amine
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ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 3-(pyridin-3-ylamino)propanoate;hydrochloride
CID 172819614
bis(pyridin-3-amine);hydrate
CID 172803625
iron;pyridin-3-amine
CID 174751178
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
3-methylbutanoic acid;pyridin-3-amine
CID 143630380
ethyl 3-oxo-4-pyridin-3-ylbutanoate
CID 62551209
ethyl 3-pyridin-3-ylpentanoate
CID 171747994

Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;pyridin-3-amine;dihydrochloride?
The IUPAC name of ethyl propanoate;pyridin-3-amine;dihydrochloride (CID 174751108) is ethyl propanoate;pyridin-3-amine;dihydrochloride.
What is the SMILES notation for ethyl propanoate;pyridin-3-amine;dihydrochloride?
The canonical SMILES for ethyl propanoate;pyridin-3-amine;dihydrochloride is CCOC(=O)CC.Cl.Cl.Nc1cccnc1.
What is the InChIKey of ethyl propanoate;pyridin-3-amine;dihydrochloride?
The InChIKey is CEBRIXJDWSAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C5H10O2.2ClH/c6-5-2-1-3-7-4-5;1-3-5(6)7-4-2;;/h1-4H,6H2;3-4H2,1-2H3;2*1H.
What are the key properties of ethyl propanoate;pyridin-3-amine;dihydrochloride?
ethyl propanoate;pyridin-3-amine;dihydrochloride has a molecular weight of 269.17 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 174751108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).