6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine

C10H14ClN3O3 — CID 87810175

IUPAC6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
SMILESCCCOCCNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O3/c1-2-6-17-7-5-12-10-8(14(15)16)3-4-9(11)13-10/h3-4H,2,5-7H2,1H3,(H,12,13)
InChIKeyGOCUYERPXAXBBQ-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.48
Rot. Bonds7

About 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine

6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine (PubChem CID 87810175) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
PubChem CID87810175
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine
SMILESCCCOCCNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O3/c1-2-6-17-7-5-12-10-8(14(15)16)3-4-9(11)13-10/h3-4H,2,5-7H2,1H3,(H,12,13)
InChIKeyGOCUYERPXAXBBQ-UHFFFAOYSA-N
XLogP2.48
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
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

6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616
6-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-3-nitropyridin-2-amine
CID 114156896
N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
CID 104820473
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
6-chloro-3-nitro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013741
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
N-but-3-enyl-6-chloro-3-nitropyridin-2-amine
CID 106196186
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine (CID 87810175) is 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine is CCCOCCNc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine?
The InChIKey is GOCUYERPXAXBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-2-6-17-7-5-12-10-8(14(15)16)3-4-9(11)13-10/h3-4H,2,5-7H2,1H3,(H,12,13).
What are the key properties of 6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine?
6-chloro-3-nitro-N-(2-propoxyethyl)pyridin-2-amine has a molecular weight of 259.69 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-3-nitro-N-(2-propoxyethyl)pyridin-2-amine is sourced from PubChem (CID 87810175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).