3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine

C10H12Br2F2N2 — CID 107489338

IUPAC3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N(CCBr)CC(F)F)c1Br
InChIInChI=1S/C10H12Br2F2N2/c1-7-2-4-15-10(9(7)12)16(5-3-11)6-8(13)14/h2,4,8H,3,5-6H2,1H3
InChIKeyZGUFAJUBJYIEKF-UHFFFAOYSA-N
MW358.02 g/mol
LogP3.62
Rot. Bonds5

About 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine

3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine (PubChem CID 107489338) has the molecular formula C10H12Br2F2N2 and a molecular weight of 358.02 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
PubChem CID107489338
Molecular FormulaC10H12Br2F2N2
Molecular Weight358.02 g/mol
Exact Mass355.93
IUPAC Name3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(N(CCBr)CC(F)F)c1Br
InChIInChI=1S/C10H12Br2F2N2/c1-7-2-4-15-10(9(7)12)16(5-3-11)6-8(13)14/h2,4,8H,3,5-6H2,1H3
InChIKeyZGUFAJUBJYIEKF-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.02
LogP ≤ 53.62
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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 107489652
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
3-bromo-N-(3-chloropropyl)-N-ethyl-4-methylpyridin-2-amine
CID 106879048
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494126
1-[(3-bromo-4-methyl-2-pyridinyl)-ethylamino]-2-methylpropan-2-ol
CID 106876362

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine (CID 107489338) is 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine is Cc1ccnc(N(CCBr)CC(F)F)c1Br.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine?
The InChIKey is ZGUFAJUBJYIEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2F2N2/c1-7-2-4-15-10(9(7)12)16(5-3-11)6-8(13)14/h2,4,8H,3,5-6H2,1H3.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine?
3-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine has a molecular weight of 358.02 g/mol, XLogP of 3.62, 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-bromoethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 107489338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).