1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine

C7H11ClN4 — CID 55273513

IUPAC1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
SMILESNCC(N)c1cc(Cl)cnc1N
InChIInChI=1S/C7H11ClN4/c8-4-1-5(6(10)2-9)7(11)12-3-4/h1,3,6H,2,9-10H2,(H2,11,12)
InChIKeyIYNCFZWALRFDKG-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.28
Rot. Bonds2

About 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine

1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine (PubChem CID 55273513) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
PubChem CID55273513
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
SMILESNCC(N)c1cc(Cl)cnc1N
InChIInChI=1S/C7H11ClN4/c8-4-1-5(6(10)2-9)7(11)12-3-4/h1,3,6H,2,9-10H2,(H2,11,12)
InChIKeyIYNCFZWALRFDKG-UHFFFAOYSA-N
XLogP0.28
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
CID 55271248
3-(1-amino-2-propylsulfanylethyl)-5-chloropyridin-2-amine
CID 65128663
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
3-[1-amino-2-(oxan-2-yl)ethyl]-5-chloropyridin-2-amine
CID 113391501
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
1-(2-amino-5-chloro-3-pyridinyl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 79052761
1-(2-amino-5-chloro-3-pyridinyl)but-3-en-1-ol
CID 116659950
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439
3-[amino-(2,4,6-trifluorophenyl)methyl]-5-chloropyridin-2-amine
CID 107920558
3-[amino-(2-methylcyclopropyl)methyl]-5-chloropyridin-2-amine
CID 65421266
3-[amino-(2-bromo-3,4-difluorophenyl)methyl]-5-chloropyridin-2-amine
CID 107538682

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine (CID 55273513) is 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine is NCC(N)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is IYNCFZWALRFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c8-4-1-5(6(10)2-9)7(11)12-3-4/h1,3,6H,2,9-10H2,(H2,11,12).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine?
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 186.65 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55273513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).