N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine

C8H8ClN3O2 — CID 115637264

IUPACN-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
SMILESC=C(Cl)CNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClN3O2/c1-6(9)4-11-7-2-3-10-5-8(7)12(13)14/h2-3,5H,1,4H2,(H,10,11)
InChIKeyCMBOXDYRHRQATC-UHFFFAOYSA-N
MW213.62 g/mol
LogP2.15
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine

N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine (PubChem CID 115637264) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
PubChem CID115637264
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC NameN-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
SMILESC=C(Cl)CNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C8H8ClN3O2/c1-6(9)4-11-7-2-3-10-5-8(7)12(13)14/h2-3,5H,1,4H2,(H,10,11)
InChIKeyCMBOXDYRHRQATC-UHFFFAOYSA-N
XLogP2.15
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
2-[(3-nitro-4-pyridinyl)amino]-1-phenylethanone
CID 91754130
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
1,1-difluoro-3-[(3-nitro-4-pyridinyl)amino]propan-2-ol
CID 103731329
3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
CID 104577455
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
CID 63239113
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883
3-nitro-N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285246
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
N-(3-nitro-4-pyridinyl)formamide
CID 174895660

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine (CID 115637264) is N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine is C=C(Cl)CNc1ccncc1[N+](=O)[O-].
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine?
The InChIKey is CMBOXDYRHRQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-6(9)4-11-7-2-3-10-5-8(7)12(13)14/h2-3,5H,1,4H2,(H,10,11).
What are the key properties of N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine?
N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine has a molecular weight of 213.62 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 115637264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).