N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine

C10H13ClN4O2 — CID 115301549

IUPACN'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESNC(CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H13ClN4O2/c11-7-3-9(15(16)17)10(13-4-7)14-5-8(12)6-1-2-6/h3-4,6,8H,1-2,5,12H2,(H,13,14)
InChIKeyDNPDISXQKNJNAZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.79
Rot. Bonds5

About N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine

N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 115301549) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
PubChem CID115301549
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESNC(CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C10H13ClN4O2/c11-7-3-9(15(16)17)10(13-4-7)14-5-8(12)6-1-2-6/h3-4,6,8H,1-2,5,12H2,(H,13,14)
InChIKeyDNPDISXQKNJNAZ-UHFFFAOYSA-N
XLogP1.79
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 71008237
2-N-(5-chloro-3-nitro-2-pyridinyl)-2-cyclopropylpropane-1,2-diamine
CID 115308283
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
CID 103821473
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 86807809
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (CID 115301549) is N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is NC(CNc1ncc(Cl)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is DNPDISXQKNJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-7-3-9(15(16)17)10(13-4-7)14-5-8(12)6-1-2-6/h3-4,6,8H,1-2,5,12H2,(H,13,14).
What are the key properties of N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 256.69 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-3-nitro-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 115301549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).