5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide

C13H10Cl2N2O — CID 113271900

IUPAC5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1ccc(Cl)cn1
InChIInChI=1S/C13H10Cl2N2O/c14-7-9-3-1-2-4-11(9)17-13(18)12-6-5-10(15)8-16-12/h1-6,8H,7H2,(H,17,18)
InChIKeyHNJYPKIXZCOXML-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.73
Rot. Bonds3

About 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide

5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 113271900) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
PubChem CID113271900
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1ccc(Cl)cn1
InChIInChI=1S/C13H10Cl2N2O/c14-7-9-3-1-2-4-11(9)17-13(18)12-6-5-10(15)8-16-12/h1-6,8H,7H2,(H,17,18)
InChIKeyHNJYPKIXZCOXML-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
CID 116814012
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190099
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
2-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 62535920

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide (CID 113271900) is 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccccc1CCl)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is HNJYPKIXZCOXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-7-9-3-1-2-4-11(9)17-13(18)12-6-5-10(15)8-16-12/h1-6,8H,7H2,(H,17,18).
What are the key properties of 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide?
5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 281.14 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 113271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).