N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide

C10H12BrClN2O2 — CID 114309395

IUPACN-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
SMILESO=C(NCCOCCBr)c1ccncc1Cl
InChIInChI=1S/C10H12BrClN2O2/c11-2-5-16-6-4-14-10(15)8-1-3-13-7-9(8)12/h1,3,7H,2,4-6H2,(H,14,15)
InChIKeyJECUXBNWPPYWGD-UHFFFAOYSA-N
MW307.57 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide

N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide (PubChem CID 114309395) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.57 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
PubChem CID114309395
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.57 g/mol
Exact Mass305.98
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
SMILESO=C(NCCOCCBr)c1ccncc1Cl
InChIInChI=1S/C10H12BrClN2O2/c11-2-5-16-6-4-14-10(15)8-1-3-13-7-9(8)12/h1,3,7H,2,4-6H2,(H,14,15)
InChIKeyJECUXBNWPPYWGD-UHFFFAOYSA-N
XLogP1.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
CID 114309236

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide (CID 114309395) is N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide is O=C(NCCOCCBr)c1ccncc1Cl.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide?
The InChIKey is JECUXBNWPPYWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c11-2-5-16-6-4-14-10(15)8-1-3-13-7-9(8)12/h1,3,7H,2,4-6H2,(H,14,15).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide?
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide has a molecular weight of 307.57 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 114309395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).