6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine

C13H14ClN3O3 — CID 103888310

IUPAC6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
SMILESCC(CCc1ccco1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C13H14ClN3O3/c1-9(4-5-11-3-2-6-20-11)15-13-8-10(17(18)19)7-12(14)16-13/h2-3,6-9H,4-5H2,1H3,(H,15,16)
InChIKeyYGOATMORKJEYPK-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.67
Rot. Bonds6

About 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine

6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine (PubChem CID 103888310) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
PubChem CID103888310
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
SMILESCC(CCc1ccco1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C13H14ClN3O3/c1-9(4-5-11-3-2-6-20-11)15-13-8-10(17(18)19)7-12(14)16-13/h2-3,6-9H,4-5H2,1H3,(H,15,16)
InChIKeyYGOATMORKJEYPK-UHFFFAOYSA-N
XLogP3.67
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-nitropyrimidin-4-amine
CID 62100387
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280485
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
4-(furan-2-yl)-N-[2-(4-nitrophenyl)ethyl]butan-2-amine
CID 61221200
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]-2-nitroaniline
CID 115507851
2-bromo-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-5-nitroaniline
CID 104815065

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine (CID 103888310) is 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine is CC(CCc1ccco1)Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine?
The InChIKey is YGOATMORKJEYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-9(4-5-11-3-2-6-20-11)15-13-8-10(17(18)19)7-12(14)16-13/h2-3,6-9H,4-5H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine?
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine has a molecular weight of 295.73 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine is sourced from PubChem (CID 103888310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).