N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine

C13H12ClN3O2 — CID 30640632

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(8-15-13)17(18)19/h2-9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeySUSZHVREWIWFMO-SECBINFHSA-N
MW277.71 g/mol
LogP3.82
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine (PubChem CID 30640632) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
PubChem CID30640632
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(8-15-13)17(18)19/h2-9H,1H3,(H,15,16)/t9-/m1/s1
InChIKeySUSZHVREWIWFMO-SECBINFHSA-N
XLogP3.82
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.82
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

5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 28544299
N-[(1S)-1-(3-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 7230667
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 30994278
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-nitropyridin-2-amine
CID 71852156
6-[1-(4-chlorophenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471463
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
5-nitro-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 99802719
N-[1-(3,4-dipropoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 45351788
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
N-[1-(4-aminophenyl)ethyl]-5-chloropyridin-2-amine
CID 60870794
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine (CID 30640632) is N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine is C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is SUSZHVREWIWFMO-SECBINFHSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-9(10-2-4-11(14)5-3-10)16-13-7-6-12(8-15-13)17(18)19/h2-9H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 277.71 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 30640632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).