[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine

C7H6BrClF2N2 — CID 130108006

IUPAC[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(Br)c(Cl)c(C(F)F)n1
InChIInChI=1S/C7H6BrClF2N2/c8-4-1-3(2-12)13-6(5(4)9)7(10)11/h1,7H,2,12H2
InChIKeyNCDKBXXDDBHBNS-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.89
Rot. Bonds2

About [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine

[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine (PubChem CID 130108006) has the molecular formula C7H6BrClF2N2 and a molecular weight of 271.49 g/mol. Its IUPAC name is [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
PubChem CID130108006
Molecular FormulaC7H6BrClF2N2
Molecular Weight271.49 g/mol
Exact Mass269.94
IUPAC Name[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(Br)c(Cl)c(C(F)F)n1
InChIInChI=1S/C7H6BrClF2N2/c8-4-1-3(2-12)13-6(5(4)9)7(10)11/h1,7H,2,12H2
InChIKeyNCDKBXXDDBHBNS-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
6-bromo-4-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine
CID 130108046
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130108285
6-(aminomethyl)-4-chloro-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075022
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
4-(aminomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075050
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine (CID 130108006) is [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine is NCc1cc(Br)c(Cl)c(C(F)F)n1.
What is the InChIKey of [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is NCDKBXXDDBHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2N2/c8-4-1-3(2-12)13-6(5(4)9)7(10)11/h1,7H,2,12H2.
What are the key properties of [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 271.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 130108006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).