3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine

C9H10BrClF2N2 — CID 107490053

IUPAC3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
SMILESFC(F)CN(CCCl)c1ccncc1Br
InChIInChI=1S/C9H10BrClF2N2/c10-7-5-14-3-1-8(7)15(4-2-11)6-9(12)13/h1,3,5,9H,2,4,6H2
InChIKeyCEJLDQMNNBWJJV-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.15
Rot. Bonds5

About 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine

3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine (PubChem CID 107490053) has the molecular formula C9H10BrClF2N2 and a molecular weight of 299.55 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
PubChem CID107490053
Molecular FormulaC9H10BrClF2N2
Molecular Weight299.55 g/mol
Exact Mass297.97
IUPAC Name3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
SMILESFC(F)CN(CCCl)c1ccncc1Br
InChIInChI=1S/C9H10BrClF2N2/c10-7-5-14-3-1-8(7)15(4-2-11)6-9(12)13/h1,3,5,9H,2,4,6H2
InChIKeyCEJLDQMNNBWJJV-UHFFFAOYSA-N
XLogP3.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
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

2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104779291
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489921
3-[(3-bromo-4-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 113451993
N'-(3-bromo-4-pyridinyl)-N,N'-diethylethane-1,2-diamine
CID 104779301
2-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-(trifluoromethyl)aniline
CID 107489656
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
CID 104777752
3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
CID 107489974
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine (CID 107490053) is 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine is FC(F)CN(CCCl)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine?
The InChIKey is CEJLDQMNNBWJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClF2N2/c10-7-5-14-3-1-8(7)15(4-2-11)6-9(12)13/h1,3,5,9H,2,4,6H2.
What are the key properties of 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine?
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine has a molecular weight of 299.55 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine is sourced from PubChem (CID 107490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).