N-(chloromethyl)-N-hydroxypyridine-4-carboxamide

C7H7ClN2O2 — CID 54251383

IUPACN-(chloromethyl)-N-hydroxypyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(O)CCl
InChIInChI=1S/C7H7ClN2O2/c8-5-10(12)7(11)6-1-3-9-4-2-6/h1-4,12H,5H2
InChIKeyQWZMXQOOXNIQRB-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.11
Rot. Bonds2

About N-(chloromethyl)-N-hydroxypyridine-4-carboxamide

N-(chloromethyl)-N-hydroxypyridine-4-carboxamide (PubChem CID 54251383) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is N-(chloromethyl)-N-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(chloromethyl)-N-hydroxypyridine-4-carboxamide
PubChem CID54251383
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC NameN-(chloromethyl)-N-hydroxypyridine-4-carboxamide
SMILESO=C(c1ccncc1)N(O)CCl
InChIInChI=1S/C7H7ClN2O2/c8-5-10(12)7(11)6-1-3-9-4-2-6/h1-4,12H,5H2
InChIKeyQWZMXQOOXNIQRB-UHFFFAOYSA-N
XLogP1.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 54505317
N-butyl-N-(2-chloroethyl)pyridine-4-carboxamide
CID 63390664
N-(2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide
CID 84515347
N,N-bis(2-cyanoethyl)pyridine-4-carboxamide
CID 51179878
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
potassium N-[pyridine-4-carbonyl(sulfanyl)amino]-N-sulfanylcarbamate
CID 87740635
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
CID 60831290
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-methyl-N-[(1-methyltetrazol-5-yl)methyl]pyridine-4-carboxamide
CID 110871101

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(chloromethyl)-N-hydroxypyridine-4-carboxamide (CID 54251383) is N-(chloromethyl)-N-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(chloromethyl)-N-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(chloromethyl)-N-hydroxypyridine-4-carboxamide is O=C(c1ccncc1)N(O)CCl.
What is the InChIKey of N-(chloromethyl)-N-hydroxypyridine-4-carboxamide?
The InChIKey is QWZMXQOOXNIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c8-5-10(12)7(11)6-1-3-9-4-2-6/h1-4,12H,5H2.
What are the key properties of N-(chloromethyl)-N-hydroxypyridine-4-carboxamide?
N-(chloromethyl)-N-hydroxypyridine-4-carboxamide has a molecular weight of 186.60 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 54251383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).