2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide

C10H10ClN3O4 — CID 103881089

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
SMILESO=C(NC1(CO)CC1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O4/c11-8-3-6(7(4-12-8)14(17)18)9(16)13-10(5-15)1-2-10/h3-4,15H,1-2,5H2,(H,13,16)
InChIKeyDOGYUPCTEAWKHK-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.90
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide

2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide (PubChem CID 103881089) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
PubChem CID103881089
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
SMILESO=C(NC1(CO)CC1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H10ClN3O4/c11-8-3-6(7(4-12-8)14(17)18)9(16)13-10(5-15)1-2-10/h3-4,15H,1-2,5H2,(H,13,16)
InChIKeyDOGYUPCTEAWKHK-UHFFFAOYSA-N
XLogP0.90
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
CID 103733579
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
CID 103885996
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-nitropyridine-4-carboxamide
CID 104957413
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 104583556
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733781
2-chloro-5-nitro-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 113254749
N-[4-(hydroxymethyl)oxan-4-yl]-5-methyl-2-nitrobenzamide
CID 106297438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide (CID 103881089) is 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide is O=C(NC1(CO)CC1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide?
The InChIKey is DOGYUPCTEAWKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c11-8-3-6(7(4-12-8)14(17)18)9(16)13-10(5-15)1-2-10/h3-4,15H,1-2,5H2,(H,13,16).
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide?
2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide has a molecular weight of 271.66 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103881089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).