N-(2-bromoethyl)-3-chloropyridine-4-carboxamide

C8H8BrClN2O — CID 66482611

IUPACN-(2-bromoethyl)-3-chloropyridine-4-carboxamide
SMILESO=C(NCCBr)c1ccncc1Cl
InChIInChI=1S/C8H8BrClN2O/c9-2-4-12-8(13)6-1-3-11-5-7(6)10/h1,3,5H,2,4H2,(H,12,13)
InChIKeyQSKFRIOXGLMPRY-UHFFFAOYSA-N
MW263.52 g/mol
LogP1.86
Rot. Bonds3

About N-(2-bromoethyl)-3-chloropyridine-4-carboxamide

N-(2-bromoethyl)-3-chloropyridine-4-carboxamide (PubChem CID 66482611) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloropyridine-4-carboxamide
PubChem CID66482611
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC NameN-(2-bromoethyl)-3-chloropyridine-4-carboxamide
SMILESO=C(NCCBr)c1ccncc1Cl
InChIInChI=1S/C8H8BrClN2O/c9-2-4-12-8(13)6-1-3-11-5-7(6)10/h1,3,5H,2,4H2,(H,12,13)
InChIKeyQSKFRIOXGLMPRY-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 51.86
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

N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(2-bromoethyl)-3-chloropyridine-4-carboxamide (CID 66482611) is N-(2-bromoethyl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloropyridine-4-carboxamide is O=C(NCCBr)c1ccncc1Cl.
What is the InChIKey of N-(2-bromoethyl)-3-chloropyridine-4-carboxamide?
The InChIKey is QSKFRIOXGLMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-2-4-12-8(13)6-1-3-11-5-7(6)10/h1,3,5H,2,4H2,(H,12,13).
What are the key properties of N-(2-bromoethyl)-3-chloropyridine-4-carboxamide?
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide has a molecular weight of 263.52 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66482611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).