4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol

C10H11ClN2O3 — CID 170477151

IUPAC4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol
SMILESCc1c(C=CCCO)cnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O3/c1-7-8(4-2-3-5-14)6-12-10(11)9(7)13(15)16/h2,4,6,14H,3,5H2,1H3
InChIKeyVEGYJRXPNZSNBC-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.35
Rot. Bonds4

About 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol

4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol (PubChem CID 170477151) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol
PubChem CID170477151
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol
SMILESCc1c(C=CCCO)cnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O3/c1-7-8(4-2-3-5-14)6-12-10(11)9(7)13(15)16/h2,4,6,14H,3,5H2,1H3
InChIKeyVEGYJRXPNZSNBC-UHFFFAOYSA-N
XLogP2.35
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

3-(6-chloro-4-methyl-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474164
methyl 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-enoate
CID 170501485
4-(6-amino-4-methyl-5-nitro-3-pyridinyl)but-3-enal
CID 170482542
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466149
3-amino-1-(6-chloro-4-methyl-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170828651
2-chloro-3-(4-chlorobut-1-enyl)-5-nitropyridine
CID 170499473
4-(3,5-difluoro-4-nitrophenyl)but-3-en-1-ol
CID 170477214
4-(4-methoxy-2-nitrophenyl)but-3-en-1-ol
CID 170477231
5-(4-bromobut-1-ynyl)-2-chloro-4-methyl-3-nitropyridine
CID 170466692
2,4-dichloro-5-ethyl-3-nitropyridine
CID 112757232
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
2-chloro-5-cyclohexyl-4-methyl-3-nitropyridine
CID 174426160

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol?
The IUPAC name of 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol (CID 170477151) is 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol.
What is the SMILES notation for 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol?
The canonical SMILES for 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol is Cc1c(C=CCCO)cnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol?
The InChIKey is VEGYJRXPNZSNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-7-8(4-2-3-5-14)6-12-10(11)9(7)13(15)16/h2,4,6,14H,3,5H2,1H3.
What are the key properties of 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol?
4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol has a molecular weight of 242.66 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-methyl-5-nitro-3-pyridinyl)but-3-en-1-ol is sourced from PubChem (CID 170477151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).