2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine

C7H6BrClF2N2 — CID 130102690

IUPAC2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
SMILESNc1c(C(F)F)cnc(CBr)c1Cl
InChIInChI=1S/C7H6BrClF2N2/c8-1-4-5(9)6(12)3(2-13-4)7(10)11/h2,7H,1H2,(H2,12,13)
InChIKeyCLRCVCHUYIVTIG-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.15
Rot. Bonds2

About 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine

2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine (PubChem CID 130102690) has the molecular formula C7H6BrClF2N2 and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
PubChem CID130102690
Molecular FormulaC7H6BrClF2N2
Molecular Weight271.49 g/mol
Exact Mass269.94
IUPAC Name2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
SMILESNc1c(C(F)F)cnc(CBr)c1Cl
InChIInChI=1S/C7H6BrClF2N2/c8-1-4-5(9)6(12)3(2-13-4)7(10)11/h2,7H,1H2,(H2,12,13)
InChIKeyCLRCVCHUYIVTIG-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.15
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

2-(aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118850860
3-chloro-5-(difluoromethyl)-2-iodopyridin-4-amine
CID 118829021
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine?
The IUPAC name of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine (CID 130102690) is 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine is Nc1c(C(F)F)cnc(CBr)c1Cl.
What is the InChIKey of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine?
The InChIKey is CLRCVCHUYIVTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2N2/c8-1-4-5(9)6(12)3(2-13-4)7(10)11/h2,7H,1H2,(H2,12,13).
What are the key properties of 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine?
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine has a molecular weight of 271.49 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine is sourced from PubChem (CID 130102690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).