2-(chloromethyl)pyridine-4-carboxamide

C7H7ClN2O — CID 22993396

IUPAC2-(chloromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(CCl)c1
InChIInChI=1S/C7H7ClN2O/c8-4-6-3-5(7(9)11)1-2-10-6/h1-3H,4H2,(H2,9,11)
InChIKeyLPOUUDGIRLKGJM-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.92
Rot. Bonds2

About 2-(chloromethyl)pyridine-4-carboxamide

2-(chloromethyl)pyridine-4-carboxamide (PubChem CID 22993396) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 2-(chloromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(chloromethyl)pyridine-4-carboxamide
PubChem CID22993396
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name2-(chloromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(CCl)c1
InChIInChI=1S/C7H7ClN2O/c8-4-6-3-5(7(9)11)1-2-10-6/h1-3H,4H2,(H2,9,11)
InChIKeyLPOUUDGIRLKGJM-UHFFFAOYSA-N
XLogP0.92
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.92
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-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
2-(1,3-oxazol-4-ylmethyl)pyridine-4-carboxamide
CID 67080027
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-ethylpyridine-4-carbonyl chloride
CID 45081393
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
butanamide;2-chloropyridine-4-carboxamide
CID 174570819
2-(methylamino)pyridine-4-carboxamide
CID 45084294
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
2-ethynylpyridine-4-carboxamide
CID 74891629
4-[(4-chloro-2-pyridinyl)methoxy]benzamide
CID 79255855
2-propylsulfanylpyridine-4-carboxamide
CID 22298978

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(chloromethyl)pyridine-4-carboxamide (CID 22993396) is 2-(chloromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(chloromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(chloromethyl)pyridine-4-carboxamide is NC(=O)c1ccnc(CCl)c1.
What is the InChIKey of 2-(chloromethyl)pyridine-4-carboxamide?
The InChIKey is LPOUUDGIRLKGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-4-6-3-5(7(9)11)1-2-10-6/h1-3H,4H2,(H2,9,11).
What are the key properties of 2-(chloromethyl)pyridine-4-carboxamide?
2-(chloromethyl)pyridine-4-carboxamide has a molecular weight of 170.60 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 22993396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).