(Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal

C10H10ClN3O3 — CID 6083171

IUPAC(Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c1-13(2)5-7(6-15)8-3-10(11)12-4-9(8)14(16)17/h3-6H,1-2H3/b7-5+
InChIKeyPCWXJQLUHHOJBV-FNORWQNLSA-N
MW255.66 g/mol
LogP1.74
Rot. Bonds4

About (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal

(Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal (PubChem CID 6083171) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal
PubChem CID6083171
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name(Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O3/c1-13(2)5-7(6-15)8-3-10(11)12-4-9(8)14(16)17/h3-6H,1-2H3/b7-5+
InChIKeyPCWXJQLUHHOJBV-FNORWQNLSA-N
XLogP1.74
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal?
The IUPAC name of (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal (CID 6083171) is (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal is CN(C)/C=C(\C=O)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal?
The InChIKey is PCWXJQLUHHOJBV-FNORWQNLSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-13(2)5-7(6-15)8-3-10(11)12-4-9(8)14(16)17/h3-6H,1-2H3/b7-5+.
What are the key properties of (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal?
(Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal has a molecular weight of 255.66 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-chloro-5-nitro-4-pyridinyl)-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 6083171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).