5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine

C14H14ClN3O3 — CID 103821386

IUPAC5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
SMILESCOc1ccccc1CCNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14ClN3O3/c1-21-13-5-3-2-4-10(13)6-7-16-14-12(18(19)20)8-11(15)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyBBQHJISKZVAFRW-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.31
Rot. Bonds6

About 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine

5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine (PubChem CID 103821386) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
PubChem CID103821386
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
SMILESCOc1ccccc1CCNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14ClN3O3/c1-21-13-5-3-2-4-10(13)6-7-16-14-12(18(19)20)8-11(15)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyBBQHJISKZVAFRW-UHFFFAOYSA-N
XLogP3.31
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103292790
4-N-[2-(2-methoxyphenyl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 106262701
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
N-[2-(2-methoxyphenyl)ethyl]-5-nitro-1,3-thiazol-2-amine
CID 103095277
3-chloro-4-methoxy-N-[2-(2-nitrophenyl)ethyl]aniline
CID 63063133
4-chloro-3-methoxy-N-[2-(2-nitrophenyl)ethyl]aniline
CID 107621608
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-3-nitropyridin-2-amine
CID 103081481
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine (CID 103821386) is 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine is COc1ccccc1CCNc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is BBQHJISKZVAFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-21-13-5-3-2-4-10(13)6-7-16-14-12(18(19)20)8-11(15)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine?
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 307.74 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 103821386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).