N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine

C10H12BrClF2N2 — CID 107487899

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
SMILESFC(F)CN(CCCl)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrClF2N2/c11-8-1-2-9(15-5-8)6-16(4-3-12)7-10(13)14/h1-2,5,10H,3-4,6-7H2
InChIKeyYKDSQPGSXAREON-UHFFFAOYSA-N
MW313.57 g/mol
LogP3.15
Rot. Bonds6

About N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine

N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine (PubChem CID 107487899) has the molecular formula C10H12BrClF2N2 and a molecular weight of 313.57 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
PubChem CID107487899
Molecular FormulaC10H12BrClF2N2
Molecular Weight313.57 g/mol
Exact Mass311.98
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
SMILESFC(F)CN(CCCl)Cc1ccc(Br)cn1
InChIInChI=1S/C10H12BrClF2N2/c11-8-1-2-9(15-5-8)6-16(4-3-12)7-10(13)14/h1-2,5,10H,3-4,6-7H2
InChIKeyYKDSQPGSXAREON-UHFFFAOYSA-N
XLogP3.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-2-methylpyridine
CID 1201003
5-Bromo-2-methylpyridine
CID 1201020
5-Bromo-2-(trifluoromethyl)pyridine
CID 2761197
5-Bromo-2,2'-bipyridine
CID 10889870
5-Bromo-2-(difluoromethyl)pyridine
CID 53415062
N-(4-bromophenyl)-N-(2-pyridinylmethylene)amine
CID 1240080
3-Bromo-2-(trifluoromethyl)pyridine
CID 11368115
5-Bromo-2-ethylpyridine
CID 13979736
3-Bromo-2-(bromomethyl)pyridine
CID 21441081
4-Bromo-2-(trifluoromethyl)pyridine
CID 23436950
3-Bromo-2-(chloromethyl)pyridine
CID 14273133
4-Bromo-2-(heptafluoropropyl)pyridine
CID 124248962

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine (CID 107487899) is N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine is FC(F)CN(CCCl)Cc1ccc(Br)cn1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
The InChIKey is YKDSQPGSXAREON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClF2N2/c11-8-1-2-9(15-5-8)6-16(4-3-12)7-10(13)14/h1-2,5,10H,3-4,6-7H2.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine has a molecular weight of 313.57 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 107487899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).