3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine

C10H12ClN3O2 — CID 103679882

IUPAC3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
SMILESC/C=C/CCNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-2-3-4-5-12-10-9(11)6-8(7-13-10)14(15)16/h2-3,6-7H,4-5H2,1H3,(H,12,13)/b3-2+
InChIKeyMDUHJOHEIVIDAT-NSCUHMNNSA-N
MW241.68 g/mol
LogP3.02
Rot. Bonds5

About 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine

3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine (PubChem CID 103679882) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
PubChem CID103679882
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine
SMILESC/C=C/CCNc1ncc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-2-3-4-5-12-10-9(11)6-8(7-13-10)14(15)16/h2-3,6-7H,4-5H2,1H3,(H,12,13)/b3-2+
InChIKeyMDUHJOHEIVIDAT-NSCUHMNNSA-N
XLogP3.02
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-methylsulfanylpropyl)-5-nitropyridin-2-amine
CID 103679906
3-chloro-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 113238811
3-chloro-5-nitro-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 113245601
6-chloro-5-nitro-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195915
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,3-dimethylpentan-2-ol
CID 133309984
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
CID 113238793
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 113244218
3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
CID 113238783
3-chloro-N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-5-nitropyridin-2-amine
CID 133380325
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
N-(2-benzylsulfinylethyl)-3-chloro-5-nitropyridin-2-amine
CID 133309437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine (CID 103679882) is 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine is C/C=C/CCNc1ncc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine?
The InChIKey is MDUHJOHEIVIDAT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-2-3-4-5-12-10-9(11)6-8(7-13-10)14(15)16/h2-3,6-7H,4-5H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine?
3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine has a molecular weight of 241.68 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-nitro-N-[(E)-pent-3-enyl]pyridin-2-amine is sourced from PubChem (CID 103679882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).