6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine

C11H14ClN3O3 — CID 103888650

IUPAC6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCOCC2CC2)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-5-9(15(16)17)6-11(14-10)13-3-4-18-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyATFHKEAFQSMPHR-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.48
Rot. Bonds7

About 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine

6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine (PubChem CID 103888650) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
PubChem CID103888650
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCCOCC2CC2)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-5-9(15(16)17)6-11(14-10)13-3-4-18-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,13,14)
InChIKeyATFHKEAFQSMPHR-UHFFFAOYSA-N
XLogP2.48
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

N-(2-but-3-enoxyethyl)-6-chloro-4-nitropyridin-2-amine
CID 103889042
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
CID 103889009
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
6-chloro-4-nitro-N-[2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 103990720
3-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-nitropyridin-2-amine
CID 113250347
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine (CID 103888650) is 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCCOCC2CC2)c1.
What is the InChIKey of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine?
The InChIKey is ATFHKEAFQSMPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-10-5-9(15(16)17)6-11(14-10)13-3-4-18-7-8-1-2-8/h5-6,8H,1-4,7H2,(H,13,14).
What are the key properties of 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine?
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine has a molecular weight of 271.70 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 103888650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).