[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine

C7H6BrF3N2 — CID 118803013

IUPAC[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)F)c(Br)c1F
InChIInChI=1S/C7H6BrF3N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H,1,12H2
InChIKeyORXVURWBFIKGIU-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.38
Rot. Bonds2

About [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine

[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine (PubChem CID 118803013) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
PubChem CID118803013
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
SMILESNCc1ncc(C(F)F)c(Br)c1F
InChIInChI=1S/C7H6BrF3N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H,1,12H2
InChIKeyORXVURWBFIKGIU-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
[3-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118831112
[4-(difluoromethyl)-3,5-difluoro-2-pyridinyl]methanamine
CID 130099744
2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
methyl 2-[2-(aminomethyl)-4-bromo-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134676012
4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
CID 118806090
[5-(difluoromethyl)-4-fluoro-3-iodo-2-pyridinyl]methanol
CID 130080189
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine?
The IUPAC name of [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine (CID 118803013) is [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine is NCc1ncc(C(F)F)c(Br)c1F.
What is the InChIKey of [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine?
The InChIKey is ORXVURWBFIKGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H,1,12H2.
What are the key properties of [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine?
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine has a molecular weight of 255.04 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine is sourced from PubChem (CID 118803013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).